4-[[(2R)-5-oxo-2-[4-(trifluoromethyl)phenyl]oxolan-2-yl]methyl]benzonitrile

C19H14F3NO2 — CID 166443535

IUPAC4-[[(2R)-5-oxo-2-[4-(trifluoromethyl)phenyl]oxolan-2-yl]methyl]benzonitrile
SMILESN#Cc1ccc(C[C@@]2(c3ccc(C(F)(F)F)cc3)CCC(=O)O2)cc1
InChIInChI=1S/C19H14F3NO2/c20-19(21,22)16-7-5-15(6-8-16)18(10-9-17(24)25-18)11-13-1-3-14(12-23)4-2-13/h1-8H,9-11H2/t18-/m1/s1
InChIKeyMAILKMWVPROIBH-GOSISDBHSA-N
MW345.32 g/mol
LogP4.35
Rot. Bonds3

About 4-[[(2R)-5-oxo-2-[4-(trifluoromethyl)phenyl]oxolan-2-yl]methyl]benzonitrile

4-[[(2R)-5-oxo-2-[4-(trifluoromethyl)phenyl]oxolan-2-yl]methyl]benzonitrile (PubChem CID 166443535) has the molecular formula C19H14F3NO2 and a molecular weight of 345.32 g/mol. Its IUPAC name is 4-[[(2R)-5-oxo-2-[4-(trifluoromethyl)phenyl]oxolan-2-yl]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[(2R)-5-oxo-2-[4-(trifluoromethyl)phenyl]oxolan-2-yl]methyl]benzonitrile
PubChem CID166443535
Molecular FormulaC19H14F3NO2
Molecular Weight345.32 g/mol
Exact Mass345.10
IUPAC Name4-[[(2R)-5-oxo-2-[4-(trifluoromethyl)phenyl]oxolan-2-yl]methyl]benzonitrile
SMILESN#Cc1ccc(C[C@@]2(c3ccc(C(F)(F)F)cc3)CCC(=O)O2)cc1
InChIInChI=1S/C19H14F3NO2/c20-19(21,22)16-7-5-15(6-8-16)18(10-9-17(24)25-18)11-13-1-3-14(12-23)4-2-13/h1-8H,9-11H2/t18-/m1/s1
InChIKeyMAILKMWVPROIBH-GOSISDBHSA-N
XLogP4.35
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.32
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-5-oxo-2-[4-(trifluoromethyl)phenyl]oxolan-2-yl]methyl]benzonitrile?
The IUPAC name of 4-[[(2R)-5-oxo-2-[4-(trifluoromethyl)phenyl]oxolan-2-yl]methyl]benzonitrile (CID 166443535) is 4-[[(2R)-5-oxo-2-[4-(trifluoromethyl)phenyl]oxolan-2-yl]methyl]benzonitrile.
What is the SMILES notation for 4-[[(2R)-5-oxo-2-[4-(trifluoromethyl)phenyl]oxolan-2-yl]methyl]benzonitrile?
The canonical SMILES for 4-[[(2R)-5-oxo-2-[4-(trifluoromethyl)phenyl]oxolan-2-yl]methyl]benzonitrile is N#Cc1ccc(C[C@@]2(c3ccc(C(F)(F)F)cc3)CCC(=O)O2)cc1.
What is the InChIKey of 4-[[(2R)-5-oxo-2-[4-(trifluoromethyl)phenyl]oxolan-2-yl]methyl]benzonitrile?
The InChIKey is MAILKMWVPROIBH-GOSISDBHSA-N. The full InChI is InChI=1S/C19H14F3NO2/c20-19(21,22)16-7-5-15(6-8-16)18(10-9-17(24)25-18)11-13-1-3-14(12-23)4-2-13/h1-8H,9-11H2/t18-/m1/s1.
What are the key properties of 4-[[(2R)-5-oxo-2-[4-(trifluoromethyl)phenyl]oxolan-2-yl]methyl]benzonitrile?
4-[[(2R)-5-oxo-2-[4-(trifluoromethyl)phenyl]oxolan-2-yl]methyl]benzonitrile has a molecular weight of 345.32 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-5-oxo-2-[4-(trifluoromethyl)phenyl]oxolan-2-yl]methyl]benzonitrile is sourced from PubChem (CID 166443535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).