(2S,4R)-6-(4-fluorophenyl)-2-hydroxy-4-phenyl-2-(trifluoromethyl)-3,4-dihydropyran-5-carbonitrile

C19H13F4NO2 — CID 102170011

IUPAC(2S,4R)-6-(4-fluorophenyl)-2-hydroxy-4-phenyl-2-(trifluoromethyl)-3,4-dihydropyran-5-carbonitrile
SMILESN#CC1=C(c2ccc(F)cc2)O[C@](O)(C(F)(F)F)C[C@@H]1c1ccccc1
InChIInChI=1S/C19H13F4NO2/c20-14-8-6-13(7-9-14)17-16(11-24)15(12-4-2-1-3-5-12)10-18(25,26-17)19(21,22)23/h1-9,15,25H,10H2/t15-,18+/m1/s1
InChIKeyGUAOWZMDQZHPFD-QAPCUYQASA-N
MW363.31 g/mol
LogP4.52
Rot. Bonds2

About (2S,4R)-6-(4-fluorophenyl)-2-hydroxy-4-phenyl-2-(trifluoromethyl)-3,4-dihydropyran-5-carbonitrile

(2S,4R)-6-(4-fluorophenyl)-2-hydroxy-4-phenyl-2-(trifluoromethyl)-3,4-dihydropyran-5-carbonitrile (PubChem CID 102170011) has the molecular formula C19H13F4NO2 and a molecular weight of 363.31 g/mol. Its IUPAC name is (2S,4R)-6-(4-fluorophenyl)-2-hydroxy-4-phenyl-2-(trifluoromethyl)-3,4-dihydropyran-5-carbonitrile.

Molecular Properties

Compound Name(2S,4R)-6-(4-fluorophenyl)-2-hydroxy-4-phenyl-2-(trifluoromethyl)-3,4-dihydropyran-5-carbonitrile
PubChem CID102170011
Molecular FormulaC19H13F4NO2
Molecular Weight363.31 g/mol
Exact Mass363.09
IUPAC Name(2S,4R)-6-(4-fluorophenyl)-2-hydroxy-4-phenyl-2-(trifluoromethyl)-3,4-dihydropyran-5-carbonitrile
SMILESN#CC1=C(c2ccc(F)cc2)O[C@](O)(C(F)(F)F)C[C@@H]1c1ccccc1
InChIInChI=1S/C19H13F4NO2/c20-14-8-6-13(7-9-14)17-16(11-24)15(12-4-2-1-3-5-12)10-18(25,26-17)19(21,22)23/h1-9,15,25H,10H2/t15-,18+/m1/s1
InChIKeyGUAOWZMDQZHPFD-QAPCUYQASA-N
XLogP4.52
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.31
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4R)-6-(4-bromophenyl)-2-hydroxy-4-(4-methylphenyl)-2-(trifluoromethyl)-3,4-dihydropyran-5-carbonitrile
CID 44597549
(2S,4R)-2-hydroxy-4,6-diphenyl-2-(trifluoromethyl)-3,4-dihydropyran-5-carbonitrile
CID 102170006
(2S,4S)-2-hydroxy-4-octyl-6-phenyl-2-(trifluoromethyl)-3,4-dihydropyran-5-carbonitrile
CID 135003172
(2E)-2-[4,6-bis(4-fluorophenyl)pyran-2-ylidene]acetonitrile
CID 10828530
2,2-bis(4-fluorophenyl)-5-phenyl-3H-furan-4-carbonitrile
CID 15324049
2-[Fluoro-(2,3,4,5-tetrafluorophenyl)methoxy]-2-hydroxy-3-phenylpropanenitrile
CID 19967857
3-Fluoro-5-[4-methyl-3-(1-phenylethenoxy)cyclohex-3-en-1-yl]benzonitrile
CID 70214135
3-Phenyl-2,2-bis(2,2,2-trifluoro-1-phenylethoxy)butanenitrile
CID 87897623
3-Fluoro-5-[4-methyl-3-(1-phenylpent-1-enoxy)cyclohex-3-en-1-yl]benzonitrile
CID 91213192
3-[1-[1-(3-Cyanophenyl)-3,3,3-trifluoroprop-1-enoxy]-3,3,3-trifluoroprop-1-enyl]benzonitrile
CID 138505868
2-[2-[2-(1,2,2-Trifluoro-1-hydroxyethoxy)propan-2-yl]phenyl]acetonitrile
CID 140332771
3-fluoro-5-[4-methyl-3-[(Z)-1-phenylprop-1-enoxy]cyclohex-3-en-1-yl]benzonitrile
CID 144066194

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-6-(4-fluorophenyl)-2-hydroxy-4-phenyl-2-(trifluoromethyl)-3,4-dihydropyran-5-carbonitrile?
The IUPAC name of (2S,4R)-6-(4-fluorophenyl)-2-hydroxy-4-phenyl-2-(trifluoromethyl)-3,4-dihydropyran-5-carbonitrile (CID 102170011) is (2S,4R)-6-(4-fluorophenyl)-2-hydroxy-4-phenyl-2-(trifluoromethyl)-3,4-dihydropyran-5-carbonitrile.
What is the SMILES notation for (2S,4R)-6-(4-fluorophenyl)-2-hydroxy-4-phenyl-2-(trifluoromethyl)-3,4-dihydropyran-5-carbonitrile?
The canonical SMILES for (2S,4R)-6-(4-fluorophenyl)-2-hydroxy-4-phenyl-2-(trifluoromethyl)-3,4-dihydropyran-5-carbonitrile is N#CC1=C(c2ccc(F)cc2)O[C@](O)(C(F)(F)F)C[C@@H]1c1ccccc1.
What is the InChIKey of (2S,4R)-6-(4-fluorophenyl)-2-hydroxy-4-phenyl-2-(trifluoromethyl)-3,4-dihydropyran-5-carbonitrile?
The InChIKey is GUAOWZMDQZHPFD-QAPCUYQASA-N. The full InChI is InChI=1S/C19H13F4NO2/c20-14-8-6-13(7-9-14)17-16(11-24)15(12-4-2-1-3-5-12)10-18(25,26-17)19(21,22)23/h1-9,15,25H,10H2/t15-,18+/m1/s1.
What are the key properties of (2S,4R)-6-(4-fluorophenyl)-2-hydroxy-4-phenyl-2-(trifluoromethyl)-3,4-dihydropyran-5-carbonitrile?
(2S,4R)-6-(4-fluorophenyl)-2-hydroxy-4-phenyl-2-(trifluoromethyl)-3,4-dihydropyran-5-carbonitrile has a molecular weight of 363.31 g/mol, XLogP of 4.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-6-(4-fluorophenyl)-2-hydroxy-4-phenyl-2-(trifluoromethyl)-3,4-dihydropyran-5-carbonitrile is sourced from PubChem (CID 102170011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).