(3-chlorophenyl)-[2-(trifluoromethyl)phenyl]methanone

C14H8ClF3O — CID 62802145

IUPAC(3-chlorophenyl)-[2-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cccc(Cl)c1)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H8ClF3O/c15-10-5-3-4-9(8-10)13(19)11-6-1-2-7-12(11)14(16,17)18/h1-8H
InChIKeyBRHZBCBVOOOFAW-UHFFFAOYSA-N
MW284.66 g/mol
LogP4.59
Rot. Bonds2

About (3-chlorophenyl)-[2-(trifluoromethyl)phenyl]methanone

(3-chlorophenyl)-[2-(trifluoromethyl)phenyl]methanone (PubChem CID 62802145) has the molecular formula C14H8ClF3O and a molecular weight of 284.66 g/mol. Its IUPAC name is (3-chlorophenyl)-[2-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-[2-(trifluoromethyl)phenyl]methanone
PubChem CID62802145
Molecular FormulaC14H8ClF3O
Molecular Weight284.66 g/mol
Exact Mass284.02
IUPAC Name(3-chlorophenyl)-[2-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cccc(Cl)c1)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H8ClF3O/c15-10-5-3-4-9(8-10)13(19)11-6-1-2-7-12(11)14(16,17)18/h1-8H
InChIKeyBRHZBCBVOOOFAW-UHFFFAOYSA-N
XLogP4.59
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.66
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-[2-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (3-chlorophenyl)-[2-(trifluoromethyl)phenyl]methanone (CID 62802145) is (3-chlorophenyl)-[2-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (3-chlorophenyl)-[2-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (3-chlorophenyl)-[2-(trifluoromethyl)phenyl]methanone is O=C(c1cccc(Cl)c1)c1ccccc1C(F)(F)F.
What is the InChIKey of (3-chlorophenyl)-[2-(trifluoromethyl)phenyl]methanone?
The InChIKey is BRHZBCBVOOOFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF3O/c15-10-5-3-4-9(8-10)13(19)11-6-1-2-7-12(11)14(16,17)18/h1-8H.
What are the key properties of (3-chlorophenyl)-[2-(trifluoromethyl)phenyl]methanone?
(3-chlorophenyl)-[2-(trifluoromethyl)phenyl]methanone has a molecular weight of 284.66 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-[2-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 62802145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).