[2-bromo-5-(trifluoromethyl)phenyl]-(3-fluorophenyl)methanone

C14H7BrF4O — CID 114962698

IUPAC[2-bromo-5-(trifluoromethyl)phenyl]-(3-fluorophenyl)methanone
SMILESO=C(c1cccc(F)c1)c1cc(C(F)(F)F)ccc1Br
InChIInChI=1S/C14H7BrF4O/c15-12-5-4-9(14(17,18)19)7-11(12)13(20)8-2-1-3-10(16)6-8/h1-7H
InChIKeyRAYKMCLAVHLCQV-UHFFFAOYSA-N
MW347.11 g/mol
LogP4.84
Rot. Bonds2

About [2-bromo-5-(trifluoromethyl)phenyl]-(3-fluorophenyl)methanone

[2-bromo-5-(trifluoromethyl)phenyl]-(3-fluorophenyl)methanone (PubChem CID 114962698) has the molecular formula C14H7BrF4O and a molecular weight of 347.11 g/mol. Its IUPAC name is [2-bromo-5-(trifluoromethyl)phenyl]-(3-fluorophenyl)methanone.

Molecular Properties

Compound Name[2-bromo-5-(trifluoromethyl)phenyl]-(3-fluorophenyl)methanone
PubChem CID114962698
Molecular FormulaC14H7BrF4O
Molecular Weight347.11 g/mol
Exact Mass345.96
IUPAC Name[2-bromo-5-(trifluoromethyl)phenyl]-(3-fluorophenyl)methanone
SMILESO=C(c1cccc(F)c1)c1cc(C(F)(F)F)ccc1Br
InChIInChI=1S/C14H7BrF4O/c15-12-5-4-9(14(17,18)19)7-11(12)13(20)8-2-1-3-10(16)6-8/h1-7H
InChIKeyRAYKMCLAVHLCQV-UHFFFAOYSA-N
XLogP4.84
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.11
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[2-bromo-5-(trifluoromethyl)phenyl]-(3,5-difluorophenyl)methanone
CID 114970525
(3-bromo-2-fluorophenyl)-[2-bromo-5-(trifluoromethyl)phenyl]methanone
CID 106647447
(3-bromo-2,6-difluorophenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 106941639
(4-bromothiophen-3-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 79595938
(5-fluoro-2-methylphenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 62790265
(2-bromo-4-chlorophenyl)-(3-fluorophenyl)methanone
CID 107996213
(2-bromo-5-fluorophenyl)-(3-methoxyphenyl)methanone
CID 114962473
(3-bromophenyl)-(3-fluorophenyl)methanone
CID 19780750
(4-bromo-3-methylphenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 114970207
3-fluorobenzoyl bromide
CID 20822510
(2,5-difluorophenyl)-(3-fluorophenyl)methanone
CID 43159843
[3,5-bis(trifluoromethyl)phenyl]-(2-bromophenyl)methanone
CID 172878103

Frequently Asked Questions

What is the IUPAC name of [2-bromo-5-(trifluoromethyl)phenyl]-(3-fluorophenyl)methanone?
The IUPAC name of [2-bromo-5-(trifluoromethyl)phenyl]-(3-fluorophenyl)methanone (CID 114962698) is [2-bromo-5-(trifluoromethyl)phenyl]-(3-fluorophenyl)methanone.
What is the SMILES notation for [2-bromo-5-(trifluoromethyl)phenyl]-(3-fluorophenyl)methanone?
The canonical SMILES for [2-bromo-5-(trifluoromethyl)phenyl]-(3-fluorophenyl)methanone is O=C(c1cccc(F)c1)c1cc(C(F)(F)F)ccc1Br.
What is the InChIKey of [2-bromo-5-(trifluoromethyl)phenyl]-(3-fluorophenyl)methanone?
The InChIKey is RAYKMCLAVHLCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrF4O/c15-12-5-4-9(14(17,18)19)7-11(12)13(20)8-2-1-3-10(16)6-8/h1-7H.
What are the key properties of [2-bromo-5-(trifluoromethyl)phenyl]-(3-fluorophenyl)methanone?
[2-bromo-5-(trifluoromethyl)phenyl]-(3-fluorophenyl)methanone has a molecular weight of 347.11 g/mol, XLogP of 4.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bromo-5-(trifluoromethyl)phenyl]-(3-fluorophenyl)methanone is sourced from PubChem (CID 114962698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).