[2-chloro-3-(trifluoromethyl)phenyl]-(3-fluoro-5-methylphenyl)methanone

C15H9ClF4O — CID 174965122

IUPAC[2-chloro-3-(trifluoromethyl)phenyl]-(3-fluoro-5-methylphenyl)methanone
SMILESCc1cc(F)cc(C(=O)c2cccc(C(F)(F)F)c2Cl)c1
InChIInChI=1S/C15H9ClF4O/c1-8-5-9(7-10(17)6-8)14(21)11-3-2-4-12(13(11)16)15(18,19)20/h2-7H,1H3
InChIKeyVNDUWGXBYCBDGY-UHFFFAOYSA-N
MW316.68 g/mol
LogP5.04
Rot. Bonds2

About [2-chloro-3-(trifluoromethyl)phenyl]-(3-fluoro-5-methylphenyl)methanone

[2-chloro-3-(trifluoromethyl)phenyl]-(3-fluoro-5-methylphenyl)methanone (PubChem CID 174965122) has the molecular formula C15H9ClF4O and a molecular weight of 316.68 g/mol. Its IUPAC name is [2-chloro-3-(trifluoromethyl)phenyl]-(3-fluoro-5-methylphenyl)methanone.

Molecular Properties

Compound Name[2-chloro-3-(trifluoromethyl)phenyl]-(3-fluoro-5-methylphenyl)methanone
PubChem CID174965122
Molecular FormulaC15H9ClF4O
Molecular Weight316.68 g/mol
Exact Mass316.03
IUPAC Name[2-chloro-3-(trifluoromethyl)phenyl]-(3-fluoro-5-methylphenyl)methanone
SMILESCc1cc(F)cc(C(=O)c2cccc(C(F)(F)F)c2Cl)c1
InChIInChI=1S/C15H9ClF4O/c1-8-5-9(7-10(17)6-8)14(21)11-3-2-4-12(13(11)16)15(18,19)20/h2-7H,1H3
InChIKeyVNDUWGXBYCBDGY-UHFFFAOYSA-N
XLogP5.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.68
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3-methylphenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 55120964
(2-chloro-3-methylphenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 107291351
2-chloro-3-(trifluoromethyl)benzamide
CID 3861109
[[2-chloro-3-(trifluoromethyl)phenyl]-(4-methylphenyl)methylidene]azanium
CID 135086003
(2,3-dichlorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 114970427
(2,3-dimethoxyphenyl)-(3-fluoro-5-methylphenyl)methanone
CID 105118811
2-bromo-1-[2-chloro-3-(trifluoromethyl)phenyl]propan-1-one
CID 134619070
(3-chlorophenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 62802145
(4-bromo-3,5-dimethylphenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 114329543
[2-(difluoromethoxy)phenyl]-(3-fluoro-5-methylphenyl)methanone
CID 115787652
(3-amino-2-chlorophenyl)-(4-fluoro-3,5-dimethylphenyl)methanone
CID 112580805
(3-chloro-5-methylphenyl)-(2-chlorophenyl)methanone
CID 114963332

Frequently Asked Questions

What is the IUPAC name of [2-chloro-3-(trifluoromethyl)phenyl]-(3-fluoro-5-methylphenyl)methanone?
The IUPAC name of [2-chloro-3-(trifluoromethyl)phenyl]-(3-fluoro-5-methylphenyl)methanone (CID 174965122) is [2-chloro-3-(trifluoromethyl)phenyl]-(3-fluoro-5-methylphenyl)methanone.
What is the SMILES notation for [2-chloro-3-(trifluoromethyl)phenyl]-(3-fluoro-5-methylphenyl)methanone?
The canonical SMILES for [2-chloro-3-(trifluoromethyl)phenyl]-(3-fluoro-5-methylphenyl)methanone is Cc1cc(F)cc(C(=O)c2cccc(C(F)(F)F)c2Cl)c1.
What is the InChIKey of [2-chloro-3-(trifluoromethyl)phenyl]-(3-fluoro-5-methylphenyl)methanone?
The InChIKey is VNDUWGXBYCBDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF4O/c1-8-5-9(7-10(17)6-8)14(21)11-3-2-4-12(13(11)16)15(18,19)20/h2-7H,1H3.
What are the key properties of [2-chloro-3-(trifluoromethyl)phenyl]-(3-fluoro-5-methylphenyl)methanone?
[2-chloro-3-(trifluoromethyl)phenyl]-(3-fluoro-5-methylphenyl)methanone has a molecular weight of 316.68 g/mol, XLogP of 5.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-3-(trifluoromethyl)phenyl]-(3-fluoro-5-methylphenyl)methanone is sourced from PubChem (CID 174965122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).