(2R)-2-hydroxy-1-[4-(trifluoromethyl)phenyl]-2-(2,3,5-trifluorophenyl)ethanone

C15H8F6O2 — CID 101214601

IUPAC(2R)-2-hydroxy-1-[4-(trifluoromethyl)phenyl]-2-(2,3,5-trifluorophenyl)ethanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)[C@H](O)c1cc(F)cc(F)c1F
InChIInChI=1S/C15H8F6O2/c16-9-5-10(12(18)11(17)6-9)14(23)13(22)7-1-3-8(4-2-7)15(19,20)21/h1-6,14,23H/t14-/m1/s1
InChIKeyOECIYUKMTWQAMO-CQSZACIVSA-N
MW334.22 g/mol
LogP4.04
Rot. Bonds3

About (2R)-2-hydroxy-1-[4-(trifluoromethyl)phenyl]-2-(2,3,5-trifluorophenyl)ethanone

(2R)-2-hydroxy-1-[4-(trifluoromethyl)phenyl]-2-(2,3,5-trifluorophenyl)ethanone (PubChem CID 101214601) has the molecular formula C15H8F6O2 and a molecular weight of 334.22 g/mol. Its IUPAC name is (2R)-2-hydroxy-1-[4-(trifluoromethyl)phenyl]-2-(2,3,5-trifluorophenyl)ethanone.

Molecular Properties

Compound Name(2R)-2-hydroxy-1-[4-(trifluoromethyl)phenyl]-2-(2,3,5-trifluorophenyl)ethanone
PubChem CID101214601
Molecular FormulaC15H8F6O2
Molecular Weight334.22 g/mol
Exact Mass334.04
IUPAC Name(2R)-2-hydroxy-1-[4-(trifluoromethyl)phenyl]-2-(2,3,5-trifluorophenyl)ethanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)[C@H](O)c1cc(F)cc(F)c1F
InChIInChI=1S/C15H8F6O2/c16-9-5-10(12(18)11(17)6-9)14(23)13(22)7-1-3-8(4-2-7)15(19,20)21/h1-6,14,23H/t14-/m1/s1
InChIKeyOECIYUKMTWQAMO-CQSZACIVSA-N
XLogP4.04
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-1-[4-(trifluoromethyl)phenyl]-2-(2,3,5-trifluorophenyl)ethanone?
The IUPAC name of (2R)-2-hydroxy-1-[4-(trifluoromethyl)phenyl]-2-(2,3,5-trifluorophenyl)ethanone (CID 101214601) is (2R)-2-hydroxy-1-[4-(trifluoromethyl)phenyl]-2-(2,3,5-trifluorophenyl)ethanone.
What is the SMILES notation for (2R)-2-hydroxy-1-[4-(trifluoromethyl)phenyl]-2-(2,3,5-trifluorophenyl)ethanone?
The canonical SMILES for (2R)-2-hydroxy-1-[4-(trifluoromethyl)phenyl]-2-(2,3,5-trifluorophenyl)ethanone is O=C(c1ccc(C(F)(F)F)cc1)[C@H](O)c1cc(F)cc(F)c1F.
What is the InChIKey of (2R)-2-hydroxy-1-[4-(trifluoromethyl)phenyl]-2-(2,3,5-trifluorophenyl)ethanone?
The InChIKey is OECIYUKMTWQAMO-CQSZACIVSA-N. The full InChI is InChI=1S/C15H8F6O2/c16-9-5-10(12(18)11(17)6-9)14(23)13(22)7-1-3-8(4-2-7)15(19,20)21/h1-6,14,23H/t14-/m1/s1.
What are the key properties of (2R)-2-hydroxy-1-[4-(trifluoromethyl)phenyl]-2-(2,3,5-trifluorophenyl)ethanone?
(2R)-2-hydroxy-1-[4-(trifluoromethyl)phenyl]-2-(2,3,5-trifluorophenyl)ethanone has a molecular weight of 334.22 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-1-[4-(trifluoromethyl)phenyl]-2-(2,3,5-trifluorophenyl)ethanone is sourced from PubChem (CID 101214601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).