(2-fluoro-3-methylphenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone

C15H9F5O — CID 107288416

IUPAC(2-fluoro-3-methylphenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
SMILESCc1cccc(C(=O)c2ccc(C(F)(F)F)c(F)c2)c1F
InChIInChI=1S/C15H9F5O/c1-8-3-2-4-10(13(8)17)14(21)9-5-6-11(12(16)7-9)15(18,19)20/h2-7H,1H3
InChIKeyLXFPKJHSZCGYAP-UHFFFAOYSA-N
MW300.23 g/mol
LogP4.52
Rot. Bonds2

About (2-fluoro-3-methylphenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone

(2-fluoro-3-methylphenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone (PubChem CID 107288416) has the molecular formula C15H9F5O and a molecular weight of 300.23 g/mol. Its IUPAC name is (2-fluoro-3-methylphenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(2-fluoro-3-methylphenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
PubChem CID107288416
Molecular FormulaC15H9F5O
Molecular Weight300.23 g/mol
Exact Mass300.06
IUPAC Name(2-fluoro-3-methylphenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
SMILESCc1cccc(C(=O)c2ccc(C(F)(F)F)c(F)c2)c1F
InChIInChI=1S/C15H9F5O/c1-8-3-2-4-10(13(8)17)14(21)9-5-6-11(12(16)7-9)15(18,19)20/h2-7H,1H3
InChIKeyLXFPKJHSZCGYAP-UHFFFAOYSA-N
XLogP4.52
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.23
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2-fluoro-3-methylphenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 114970263
bis[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 140930579
(3,4-dimethylphenyl)-(2-fluoro-3-methylphenyl)methanone
CID 81481355
(2-fluoro-4-methylphenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 107291200
[3-fluoro-4-(trifluoromethyl)phenyl]-(4-methyl-3-pyridinyl)methanone
CID 107288338
(2-chloro-3-methylphenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 107291351
(3-chlorophenyl)-(2-fluoro-3-methylphenyl)methanone
CID 114964168
(4-amino-3-methylphenyl)-(2-fluoro-3-methylphenyl)methanone
CID 81478857
(2,4-dichlorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 107291213
(4-bromo-2-fluorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 107288344
[3-fluoro-4-(trifluoromethyl)phenyl]-(2,4,5-trimethylfuran-3-yl)methanone
CID 107291275
(2-chloro-4-fluorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 107288117

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-3-methylphenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (2-fluoro-3-methylphenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone (CID 107288416) is (2-fluoro-3-methylphenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (2-fluoro-3-methylphenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (2-fluoro-3-methylphenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone is Cc1cccc(C(=O)c2ccc(C(F)(F)F)c(F)c2)c1F.
What is the InChIKey of (2-fluoro-3-methylphenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone?
The InChIKey is LXFPKJHSZCGYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F5O/c1-8-3-2-4-10(13(8)17)14(21)9-5-6-11(12(16)7-9)15(18,19)20/h2-7H,1H3.
What are the key properties of (2-fluoro-3-methylphenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone?
(2-fluoro-3-methylphenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone has a molecular weight of 300.23 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-3-methylphenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 107288416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).