(2,5-difluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone

C15H9F5O — CID 102752464

IUPAC(2,5-difluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
SMILESCc1cc(C(F)(F)F)ccc1C(=O)c1cc(F)ccc1F
InChIInChI=1S/C15H9F5O/c1-8-6-9(15(18,19)20)2-4-11(8)14(21)12-7-10(16)3-5-13(12)17/h2-7H,1H3
InChIKeyRRZAYQZGLAVEHG-UHFFFAOYSA-N
MW300.23 g/mol
LogP4.52
Rot. Bonds2

About (2,5-difluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone

(2,5-difluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone (PubChem CID 102752464) has the molecular formula C15H9F5O and a molecular weight of 300.23 g/mol. Its IUPAC name is (2,5-difluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(2,5-difluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
PubChem CID102752464
Molecular FormulaC15H9F5O
Molecular Weight300.23 g/mol
Exact Mass300.06
IUPAC Name(2,5-difluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
SMILESCc1cc(C(F)(F)F)ccc1C(=O)c1cc(F)ccc1F
InChIInChI=1S/C15H9F5O/c1-8-6-9(15(18,19)20)2-4-11(8)14(21)12-7-10(16)3-5-13(12)17/h2-7H,1H3
InChIKeyRRZAYQZGLAVEHG-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-chloro-3-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 102757184
(2-amino-3-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 102756910
(2,5-difluorophenyl)-(4-fluoro-3-methylphenyl)methanone
CID 62802416
(4-methylthiophen-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 102752670
(4-chloro-3-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 107996851
(3,4-dimethylphenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 102757027
(2,5-difluorophenyl)-(2,5-dimethylphenyl)methanone
CID 43337442
(4-chloro-2-fluorophenyl)-(4-fluoro-2-methylphenyl)methanone
CID 55181742
(2-chloro-4-fluorophenyl)-(4-chloro-2-methylphenyl)methanone
CID 146005847
(4-fluoro-2-methylphenyl)-(2,4,5-trimethylphenyl)methanone
CID 81273528
(2-chloro-6-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 102757029
(5-fluoro-2-methylphenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 62790265

Frequently Asked Questions

What is the IUPAC name of (2,5-difluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (2,5-difluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone (CID 102752464) is (2,5-difluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (2,5-difluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (2,5-difluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone is Cc1cc(C(F)(F)F)ccc1C(=O)c1cc(F)ccc1F.
What is the InChIKey of (2,5-difluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone?
The InChIKey is RRZAYQZGLAVEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F5O/c1-8-6-9(15(18,19)20)2-4-11(8)14(21)12-7-10(16)3-5-13(12)17/h2-7H,1H3.
What are the key properties of (2,5-difluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone?
(2,5-difluorophenyl)-[2-methyl-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 (2,5-difluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 102752464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).