21452044 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 9 7 7 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 2 2 3 4 4 4 5 6 6 7 7 8 8 9 9 10 10 11 12 5 12 13 5 6 7 8 10 13 9 14 11 15 11 17 12 16 18 1 1 2 3 1 1 2 2 2 1 1 1 1 1 2 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 6.3981 4.666 4.666 3.8 3.8 4.666 2.9061 2.9061 2 5.5321 2 5.5321 4.666 2.9132 2.9132 6.069 1.4643 1.4643 -1.9827 -1.9827 2.0173 -0.4827 -1.4827 0.0173 0.052 -2.0173 -0.4619 -0.4827 -1.5035 -1.4827 1.0173 0.672 -2.6373 -0.1727 -0.1498 -1.8156 8 8 8 8 8 8 8 8 8 8 8 2 2 4 4 4 5 6 7 8 9 10 5 12 5 6 7 8 10 9 11 11 12 0 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 232 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371807301000000000000000000000000000000000000003C4000000000000000B1F000001D00000000000C08811E0830C0F2081000B00724624400A2802021022008982030649808A0E2C09191842008608000C8C80F1080C00E80000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2-fluoroquinoline-4-carbonitrile IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2-fluoro-4-quinolinecarbonitrile IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2-fluoroquinoline-4-carbonitrile IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2-fluoroquinoline-4-carbonitrile IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2-fluoranylquinoline-4-carbonitrile IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 2-fluorocinchoninonitrile InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C10H5FN2/c11-10-5-7(6-12)8-3-1-2-4-9(8)13-10/h1-5H InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 IMQCODQSTSFYDO-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 172.04367633 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C10H5FN2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 172.16 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C2C(=C1)C(=CC(=N2)F)C#N SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C2C(=C1)C(=CC(=N2)F)C#N Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 36.7 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 172.04367633 13 0 0 0 0 0 0 0 1 -1