4-[(2R)-oxiran-2-yl]-2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine

C15H9F6NO — CID 142577532

IUPAC4-[(2R)-oxiran-2-yl]-2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine
SMILESFC(F)(F)c1ccc(-c2cc([C@@H]3CO3)cc(C(F)(F)F)n2)cc1
InChIInChI=1S/C15H9F6NO/c16-14(17,18)10-3-1-8(2-4-10)11-5-9(12-7-23-12)6-13(22-11)15(19,20)21/h1-6,12H,7H2/t12-/m0/s1
InChIKeySADMVESFOIYNNA-LBPRGKRZSA-N
MW333.23 g/mol
LogP4.86
Rot. Bonds2

About 4-[(2R)-oxiran-2-yl]-2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine

4-[(2R)-oxiran-2-yl]-2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine (PubChem CID 142577532) has the molecular formula C15H9F6NO and a molecular weight of 333.23 g/mol. Its IUPAC name is 4-[(2R)-oxiran-2-yl]-2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name4-[(2R)-oxiran-2-yl]-2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine
PubChem CID142577532
Molecular FormulaC15H9F6NO
Molecular Weight333.23 g/mol
Exact Mass333.06
IUPAC Name4-[(2R)-oxiran-2-yl]-2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine
SMILESFC(F)(F)c1ccc(-c2cc([C@@H]3CO3)cc(C(F)(F)F)n2)cc1
InChIInChI=1S/C15H9F6NO/c16-14(17,18)10-3-1-8(2-4-10)11-5-9(12-7-23-12)6-13(22-11)15(19,20)21/h1-6,12H,7H2/t12-/m0/s1
InChIKeySADMVESFOIYNNA-LBPRGKRZSA-N
XLogP4.86
TPSA25.42 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 4-[(2R)-oxiran-2-yl]-2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine with MolForge

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

Launch Full Analysis

Related Compounds

4-(4-chlorophenyl)-6-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]pyrimidine
CID 154708171
2-chloro-4-cyclopropyl-6-[4-(trifluoromethyl)phenyl]pyridine
CID 57468630
4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyrimidine-2-carboxylic acid
CID 57468714
(S)-piperidin-2-yl-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanol
CID 101053418
2,6-bis[4-(trifluoromethyl)phenyl]pyrazine
CID 44532794
2-bromo-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine
CID 57468624
6-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]pyridin-2-amine
CID 119008310
4-(4-tert-butylphenyl)-2-phenyl-6-(trifluoromethyl)pyrimidine
CID 132609554
2,4-difluoro-6-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]pyridine
CID 118993536
2-chloro-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 66521037
2-[4-[1,1,2,2-tetrafluoro-2-[4-(oxiran-2-yl)phenyl]ethyl]phenyl]oxirene
CID 144821120
2-[[(1S)-2-(cyclopropylmethoxy)-1-hydroxyethyl]amino]-1-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]ethanol
CID 155055208

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-oxiran-2-yl]-2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 4-[(2R)-oxiran-2-yl]-2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine (CID 142577532) is 4-[(2R)-oxiran-2-yl]-2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 4-[(2R)-oxiran-2-yl]-2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 4-[(2R)-oxiran-2-yl]-2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine is FC(F)(F)c1ccc(-c2cc([C@@H]3CO3)cc(C(F)(F)F)n2)cc1.
What is the InChIKey of 4-[(2R)-oxiran-2-yl]-2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine?
The InChIKey is SADMVESFOIYNNA-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H9F6NO/c16-14(17,18)10-3-1-8(2-4-10)11-5-9(12-7-23-12)6-13(22-11)15(19,20)21/h1-6,12H,7H2/t12-/m0/s1.
What are the key properties of 4-[(2R)-oxiran-2-yl]-2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine?
4-[(2R)-oxiran-2-yl]-2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine has a molecular weight of 333.23 g/mol, XLogP of 4.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-oxiran-2-yl]-2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 142577532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).