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

C15H10F4O2 — CID 22079253

IUPAC(5-fluoro-2-methylphenyl)-[3-(trifluoromethoxy)phenyl]methanone
SMILESCc1ccc(F)cc1C(=O)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C15H10F4O2/c1-9-5-6-11(16)8-13(9)14(20)10-3-2-4-12(7-10)21-15(17,18)19/h2-8H,1H3
InChIKeyDSXVSYCMAPOHKJ-UHFFFAOYSA-N
MW298.24 g/mol
LogP4.26
Rot. Bonds3

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

(5-fluoro-2-methylphenyl)-[3-(trifluoromethoxy)phenyl]methanone (PubChem CID 22079253) has the molecular formula C15H10F4O2 and a molecular weight of 298.24 g/mol. Its IUPAC name is (5-fluoro-2-methylphenyl)-[3-(trifluoromethoxy)phenyl]methanone.

Molecular Properties

Compound Name(5-fluoro-2-methylphenyl)-[3-(trifluoromethoxy)phenyl]methanone
PubChem CID22079253
Molecular FormulaC15H10F4O2
Molecular Weight298.24 g/mol
Exact Mass298.06
IUPAC Name(5-fluoro-2-methylphenyl)-[3-(trifluoromethoxy)phenyl]methanone
SMILESCc1ccc(F)cc1C(=O)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C15H10F4O2/c1-9-5-6-11(16)8-13(9)14(20)10-3-2-4-12(7-10)21-15(17,18)19/h2-8H,1H3
InChIKeyDSXVSYCMAPOHKJ-UHFFFAOYSA-N
XLogP4.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.24
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5-fluoro-2-methylphenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 62790265
(4-amino-3-methylphenyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 116554006
(4-ethylphenyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 63411511
5-(trifluoromethoxy)-2-[3-(trifluoromethoxy)benzoyl]benzoic acid
CID 22079272
(4-aminophenyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 116548826
bis[3-(trifluoromethoxy)phenyl]methanone;1-bromo-3-(trifluoromethoxy)benzene;methane
CID 159656585
(2-bromo-6-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 114885417
(2-bromo-5-fluorophenyl)-(3-methoxyphenyl)methanone
CID 114962473
(3-amino-4-pyridinyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 53414379
2-[3-(trifluoromethoxy)benzoyl]-5-(trifluoromethyl)benzoic acid
CID 22079233
2-amino-2-methyl-1-[3-(trifluoromethoxy)phenyl]propan-1-one
CID 116560235
2-methyl-5-(trifluoromethoxy)benzoic acid
CID 58839058

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-methylphenyl)-[3-(trifluoromethoxy)phenyl]methanone?
The IUPAC name of (5-fluoro-2-methylphenyl)-[3-(trifluoromethoxy)phenyl]methanone (CID 22079253) is (5-fluoro-2-methylphenyl)-[3-(trifluoromethoxy)phenyl]methanone.
What is the SMILES notation for (5-fluoro-2-methylphenyl)-[3-(trifluoromethoxy)phenyl]methanone?
The canonical SMILES for (5-fluoro-2-methylphenyl)-[3-(trifluoromethoxy)phenyl]methanone is Cc1ccc(F)cc1C(=O)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of (5-fluoro-2-methylphenyl)-[3-(trifluoromethoxy)phenyl]methanone?
The InChIKey is DSXVSYCMAPOHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F4O2/c1-9-5-6-11(16)8-13(9)14(20)10-3-2-4-12(7-10)21-15(17,18)19/h2-8H,1H3.
What are the key properties of (5-fluoro-2-methylphenyl)-[3-(trifluoromethoxy)phenyl]methanone?
(5-fluoro-2-methylphenyl)-[3-(trifluoromethoxy)phenyl]methanone has a molecular weight of 298.24 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-methylphenyl)-[3-(trifluoromethoxy)phenyl]methanone is sourced from PubChem (CID 22079253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).