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

C19H14F3NO2 — CID 102170006

IUPAC(2S,4R)-2-hydroxy-4,6-diphenyl-2-(trifluoromethyl)-3,4-dihydropyran-5-carbonitrile
SMILESN#CC1=C(c2ccccc2)O[C@](O)(C(F)(F)F)C[C@@H]1c1ccccc1
InChIInChI=1S/C19H14F3NO2/c20-19(21,22)18(24)11-15(13-7-3-1-4-8-13)16(12-23)17(25-18)14-9-5-2-6-10-14/h1-10,15,24H,11H2/t15-,18+/m1/s1
InChIKeyJNGYYZDSSWCNTJ-QAPCUYQASA-N
MW345.32 g/mol
LogP4.38
Rot. Bonds2

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

(2S,4R)-2-hydroxy-4,6-diphenyl-2-(trifluoromethyl)-3,4-dihydropyran-5-carbonitrile (PubChem CID 102170006) has the molecular formula C19H14F3NO2 and a molecular weight of 345.32 g/mol. Its IUPAC name is (2S,4R)-2-hydroxy-4,6-diphenyl-2-(trifluoromethyl)-3,4-dihydropyran-5-carbonitrile.

Molecular Properties

Compound Name(2S,4R)-2-hydroxy-4,6-diphenyl-2-(trifluoromethyl)-3,4-dihydropyran-5-carbonitrile
PubChem CID102170006
Molecular FormulaC19H14F3NO2
Molecular Weight345.32 g/mol
Exact Mass345.10
IUPAC Name(2S,4R)-2-hydroxy-4,6-diphenyl-2-(trifluoromethyl)-3,4-dihydropyran-5-carbonitrile
SMILESN#CC1=C(c2ccccc2)O[C@](O)(C(F)(F)F)C[C@@H]1c1ccccc1
InChIInChI=1S/C19H14F3NO2/c20-19(21,22)18(24)11-15(13-7-3-1-4-8-13)16(12-23)17(25-18)14-9-5-2-6-10-14/h1-10,15,24H,11H2/t15-,18+/m1/s1
InChIKeyJNGYYZDSSWCNTJ-QAPCUYQASA-N
XLogP4.38
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.32
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S,4R)-2-hydroxy-4,6-diphenyl-2-(trifluoromethyl)-3,4-dihydropyran-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-2-hydroxy-4,6-diphenyl-2-(trifluoromethyl)-3,4-dihydropyran-5-carbonitrile?
The IUPAC name of (2S,4R)-2-hydroxy-4,6-diphenyl-2-(trifluoromethyl)-3,4-dihydropyran-5-carbonitrile (CID 102170006) is (2S,4R)-2-hydroxy-4,6-diphenyl-2-(trifluoromethyl)-3,4-dihydropyran-5-carbonitrile.
What is the SMILES notation for (2S,4R)-2-hydroxy-4,6-diphenyl-2-(trifluoromethyl)-3,4-dihydropyran-5-carbonitrile?
The canonical SMILES for (2S,4R)-2-hydroxy-4,6-diphenyl-2-(trifluoromethyl)-3,4-dihydropyran-5-carbonitrile is N#CC1=C(c2ccccc2)O[C@](O)(C(F)(F)F)C[C@@H]1c1ccccc1.
What is the InChIKey of (2S,4R)-2-hydroxy-4,6-diphenyl-2-(trifluoromethyl)-3,4-dihydropyran-5-carbonitrile?
The InChIKey is JNGYYZDSSWCNTJ-QAPCUYQASA-N. The full InChI is InChI=1S/C19H14F3NO2/c20-19(21,22)18(24)11-15(13-7-3-1-4-8-13)16(12-23)17(25-18)14-9-5-2-6-10-14/h1-10,15,24H,11H2/t15-,18+/m1/s1.
What are the key properties of (2S,4R)-2-hydroxy-4,6-diphenyl-2-(trifluoromethyl)-3,4-dihydropyran-5-carbonitrile?
(2S,4R)-2-hydroxy-4,6-diphenyl-2-(trifluoromethyl)-3,4-dihydropyran-5-carbonitrile has a molecular weight of 345.32 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2-hydroxy-4,6-diphenyl-2-(trifluoromethyl)-3,4-dihydropyran-5-carbonitrile is sourced from PubChem (CID 102170006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).