(2,6-difluoro-3-methylphenyl)-[2-(trifluoromethyl)phenyl]methanone

C15H9F5O — CID 114971268

IUPAC(2,6-difluoro-3-methylphenyl)-[2-(trifluoromethyl)phenyl]methanone
SMILESCc1ccc(F)c(C(=O)c2ccccc2C(F)(F)F)c1F
InChIInChI=1S/C15H9F5O/c1-8-6-7-11(16)12(13(8)17)14(21)9-4-2-3-5-10(9)15(18,19)20/h2-7H,1H3
InChIKeyVJQSPARYZPHCPO-UHFFFAOYSA-N
MW300.23 g/mol
LogP4.52
Rot. Bonds2

About (2,6-difluoro-3-methylphenyl)-[2-(trifluoromethyl)phenyl]methanone

(2,6-difluoro-3-methylphenyl)-[2-(trifluoromethyl)phenyl]methanone (PubChem CID 114971268) has the molecular formula C15H9F5O and a molecular weight of 300.23 g/mol. Its IUPAC name is (2,6-difluoro-3-methylphenyl)-[2-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(2,6-difluoro-3-methylphenyl)-[2-(trifluoromethyl)phenyl]methanone
PubChem CID114971268
Molecular FormulaC15H9F5O
Molecular Weight300.23 g/mol
Exact Mass300.06
IUPAC Name(2,6-difluoro-3-methylphenyl)-[2-(trifluoromethyl)phenyl]methanone
SMILESCc1ccc(F)c(C(=O)c2ccccc2C(F)(F)F)c1F
InChIInChI=1S/C15H9F5O/c1-8-6-7-11(16)12(13(8)17)14(21)9-4-2-3-5-10(9)15(18,19)20/h2-7H,1H3
InChIKeyVJQSPARYZPHCPO-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

5-methyl-2-(2,3,5,6-tetrafluorophenyl)-4-[2-(trifluoromethyl)benzoyl]-1H-pyrazol-3-one
CID 177064689
(3-bromo-2-chlorophenyl)-(2,6-difluoro-3-methylphenyl)methanone
CID 115794398
(4-bromo-3,5-dimethylphenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 114329543
2,3,4-trifluoro-N-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]benzamide
CID 108542423
[5-hydroxy-3-methyl-1-(2,3,5,6-tetrafluorophenyl)pyrazol-4-yl]-[2-(trifluoromethyl)phenyl]methanone;manganese
CID 177064688
(2,6-difluoro-3-methylphenyl)-(2-methylthiophen-3-yl)methanone
CID 102840121
(2,5-dichlorophenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 43344618
(2,6-difluoro-3-methylphenyl)-(3,5-difluorophenyl)methanone
CID 82819637
(4-tert-butylphenyl)-(2,6-difluoro-3-methylphenyl)methanone
CID 82798017
(3-methylphenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 55120964
(4-chloro-2,5-difluorophenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 114971329
(2,6-difluoro-3-methylphenyl)-(4,5-dimethylthiophen-2-yl)methanone
CID 115794313

Frequently Asked Questions

What is the IUPAC name of (2,6-difluoro-3-methylphenyl)-[2-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (2,6-difluoro-3-methylphenyl)-[2-(trifluoromethyl)phenyl]methanone (CID 114971268) is (2,6-difluoro-3-methylphenyl)-[2-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (2,6-difluoro-3-methylphenyl)-[2-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (2,6-difluoro-3-methylphenyl)-[2-(trifluoromethyl)phenyl]methanone is Cc1ccc(F)c(C(=O)c2ccccc2C(F)(F)F)c1F.
What is the InChIKey of (2,6-difluoro-3-methylphenyl)-[2-(trifluoromethyl)phenyl]methanone?
The InChIKey is VJQSPARYZPHCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F5O/c1-8-6-7-11(16)12(13(8)17)14(21)9-4-2-3-5-10(9)15(18,19)20/h2-7H,1H3.
What are the key properties of (2,6-difluoro-3-methylphenyl)-[2-(trifluoromethyl)phenyl]methanone?
(2,6-difluoro-3-methylphenyl)-[2-(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 (2,6-difluoro-3-methylphenyl)-[2-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 114971268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).