(2-fluoro-4-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanone

C15H10F4O2 — CID 22314037

IUPAC(2-fluoro-4-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanone
SMILESCOc1ccc(C(=O)c2ccc(C(F)(F)F)cc2)c(F)c1
InChIInChI=1S/C15H10F4O2/c1-21-11-6-7-12(13(16)8-11)14(20)9-2-4-10(5-3-9)15(17,18)19/h2-8H,1H3
InChIKeyUEPDYTQOWDTMBC-UHFFFAOYSA-N
MW298.24 g/mol
LogP4.08
Rot. Bonds3

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

(2-fluoro-4-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 22314037) has the molecular formula C15H10F4O2 and a molecular weight of 298.24 g/mol. Its IUPAC name is (2-fluoro-4-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(2-fluoro-4-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanone
PubChem CID22314037
Molecular FormulaC15H10F4O2
Molecular Weight298.24 g/mol
Exact Mass298.06
IUPAC Name(2-fluoro-4-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanone
SMILESCOc1ccc(C(=O)c2ccc(C(F)(F)F)cc2)c(F)c1
InChIInChI=1S/C15H10F4O2/c1-21-11-6-7-12(13(16)8-11)14(20)9-2-4-10(5-3-9)15(17,18)19/h2-8H,1H3
InChIKeyUEPDYTQOWDTMBC-UHFFFAOYSA-N
XLogP4.08
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 ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-fluoro-4-methoxyphenyl)-(4-fluorophenyl)methanone
CID 22475212
(2-fluoro-4-methoxyphenyl)-(4-methylphenyl)methanone
CID 43561161
(4-chlorophenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 22475222
(2-bromo-5-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanone
CID 105095598
(2-fluoro-4-methoxyphenyl)-(4-methylsulfanylphenyl)methanone
CID 79215178
(2-fluoro-4-methylphenyl)-[4-(trifluoromethyl)phenyl]methanone
CID 114970701
(3,4-difluorophenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 43561111
(4-ethoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 43561120
(4-chloro-2-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanone
CID 114970683
(4-methoxyphenyl)-(2,4,5-trifluorophenyl)methanone
CID 103693772
(2-fluoro-5-methoxyphenyl)-(4-methoxyphenyl)methanone
CID 102282476
(2,6-difluoro-4-methoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 102882225

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (2-fluoro-4-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanone (CID 22314037) is (2-fluoro-4-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (2-fluoro-4-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (2-fluoro-4-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanone is COc1ccc(C(=O)c2ccc(C(F)(F)F)cc2)c(F)c1.
What is the InChIKey of (2-fluoro-4-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is UEPDYTQOWDTMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F4O2/c1-21-11-6-7-12(13(16)8-11)14(20)9-2-4-10(5-3-9)15(17,18)19/h2-8H,1H3.
What are the key properties of (2-fluoro-4-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanone?
(2-fluoro-4-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 298.24 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 22314037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).