5936 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 15 9 8 8 8 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 4 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 2 3 4 5 7 6 8 9 13 10 11 12 14 15 16 17 18 19 20 21 22 23 24 25 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 19 20 21 22 23 24 25 4.5981 4.0981 5.4641 3.732 5.0981 2.866 6.3301 2 2.866 7.1962 6.3301 5.7932 2.866 1.69 1.4631 2.31 3.486 2.866 2.246 7.5062 7.7331 6.8862 5.7101 6.3301 6.9501 0 0.866 0.5 -0.5 -0.866 0 0 -0.5 1 0.5 -1 -0.31 -0.62 0.0369 -0.81 -1.0369 1 1.62 1 -0.0369 0.81 1.0369 -1 -1.62 -1 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.396 Cactvs xemistry.com 2012.02.08 144 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.396 Cactvs xemistry.com 2012.02.08 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.396 Cactvs xemistry.com 2012.02.08 0 Count Rotatable Bond 5 E_NROTBONDS 3.396 Cactvs xemistry.com 2012.02.08 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.396 Cactvs xemistry.com 2012.02.08 00000371C0603102000000000000000000000000000000000000000000000000000000000000001A00000028000814A080020200000001100040000000800000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.1.0 LexiChem openeye.com 2012.02.08 2-[fluoro(isopropoxy)phosphoryl]oxypropane IUPAC Name CAS-like Style 1 2.1.0 LexiChem openeye.com 2012.02.08 2-[fluoro(propan-2-yloxy)phosphoryl]oxypropane IUPAC Name Preferred 1 2.1.0 LexiChem openeye.com 2012.02.08 2-[fluoro(propan-2-yloxy)phosphoryl]oxypropane IUPAC Name Systematic 1 2.1.0 LexiChem openeye.com 2012.02.08 2-[fluoranyl(propan-2-yloxy)phosphoryl]oxypropane IUPAC Name Traditional 1 2.1.0 LexiChem openeye.com 2012.02.08 2-[fluoro(isopropoxy)phosphoryl]oxypropane InChI Standard 1 1.0.4 InChI iupac.org 2012.02.08 InChI=1S/C6H14FO3P/c1-5(2)9-11(7,8)10-6(3)4/h5-6H,1-4H3 InChIKey Standard 1 1.0.4 InChI iupac.org 2012.02.08 MUCZHBLJLSDCSD-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2012.02.08 1.2 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 184.066459 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 C6H14FO3P Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 184.145725 SMILES Canonical 1 1.7.6 OEChem openeye.com 2012.02.08 CC(C)OP(=O)(OC(C)C)F SMILES Isomeric 1 1.7.6 OEChem openeye.com 2012.02.08 CC(C)OP(=O)(OC(C)C)F Topological Polar Surface Area 7 E_TPSA 3.396 Cactvs xemistry.com 2012.02.08 35.5 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 184.066459 11 0 0 0 0 0 0 0 1 1