bis[3-fluoro-4-(trifluoromethyl)phenyl]methanone

C15H6F8O — CID 140930579

IUPACbis[3-fluoro-4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)c(F)c1)c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C15H6F8O/c16-11-5-7(1-3-9(11)14(18,19)20)13(24)8-2-4-10(12(17)6-8)15(21,22)23/h1-6H
InChIKeyZQEBRBIVHXWOQS-UHFFFAOYSA-N
MW354.20 g/mol
LogP5.23
Rot. Bonds2

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

bis[3-fluoro-4-(trifluoromethyl)phenyl]methanone (PubChem CID 140930579) has the molecular formula C15H6F8O and a molecular weight of 354.20 g/mol. Its IUPAC name is bis[3-fluoro-4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Namebis[3-fluoro-4-(trifluoromethyl)phenyl]methanone
PubChem CID140930579
Molecular FormulaC15H6F8O
Molecular Weight354.20 g/mol
Exact Mass354.03
IUPAC Namebis[3-fluoro-4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)c(F)c1)c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C15H6F8O/c16-11-5-7(1-3-9(11)14(18,19)20)13(24)8-2-4-10(12(17)6-8)15(21,22)23/h1-6H
InChIKeyZQEBRBIVHXWOQS-UHFFFAOYSA-N
XLogP5.23
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.20
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-fluoro-4-(trifluoromethyl)benzoyl chloride
CID 2734709
(3-bromo-4-chlorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 107288265
[3-fluoro-4-(trifluoromethyl)phenyl]-pyridazin-4-ylmethanone
CID 107291233
(2-chloro-4-pyridinyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 107288234
(2,4-dichlorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 107291213
(4-bromo-2-fluorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 107288344
(2-fluoro-4-methylphenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 107291200
[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
(2,5-dibromophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 107291262
(2-fluoro-3-methylphenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 107288416
(2,5-dibromothiophen-3-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 107967908

Frequently Asked Questions

What is the IUPAC name of bis[3-fluoro-4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of bis[3-fluoro-4-(trifluoromethyl)phenyl]methanone (CID 140930579) is bis[3-fluoro-4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for bis[3-fluoro-4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for bis[3-fluoro-4-(trifluoromethyl)phenyl]methanone is O=C(c1ccc(C(F)(F)F)c(F)c1)c1ccc(C(F)(F)F)c(F)c1.
What is the InChIKey of bis[3-fluoro-4-(trifluoromethyl)phenyl]methanone?
The InChIKey is ZQEBRBIVHXWOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H6F8O/c16-11-5-7(1-3-9(11)14(18,19)20)13(24)8-2-4-10(12(17)6-8)15(21,22)23/h1-6H.
What are the key properties of bis[3-fluoro-4-(trifluoromethyl)phenyl]methanone?
bis[3-fluoro-4-(trifluoromethyl)phenyl]methanone has a molecular weight of 354.20 g/mol, XLogP of 5.23, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis[3-fluoro-4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 140930579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).