(2-bromo-6-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanone

C14H7BrF4O2 — CID 114885417

IUPAC(2-bromo-6-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanone
SMILESO=C(c1cccc(OC(F)(F)F)c1)c1c(F)cccc1Br
InChIInChI=1S/C14H7BrF4O2/c15-10-5-2-6-11(16)12(10)13(20)8-3-1-4-9(7-8)21-14(17,18)19/h1-7H
InChIKeyQPWQQPXKVRPEMG-UHFFFAOYSA-N
MW363.10 g/mol
LogP4.72
Rot. Bonds3

About (2-bromo-6-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanone

(2-bromo-6-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanone (PubChem CID 114885417) has the molecular formula C14H7BrF4O2 and a molecular weight of 363.10 g/mol. Its IUPAC name is (2-bromo-6-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanone.

Molecular Properties

Compound Name(2-bromo-6-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanone
PubChem CID114885417
Molecular FormulaC14H7BrF4O2
Molecular Weight363.10 g/mol
Exact Mass361.96
IUPAC Name(2-bromo-6-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanone
SMILESO=C(c1cccc(OC(F)(F)F)c1)c1c(F)cccc1Br
InChIInChI=1S/C14H7BrF4O2/c15-10-5-2-6-11(16)12(10)13(20)8-3-1-4-9(7-8)21-14(17,18)19/h1-7H
InChIKeyQPWQQPXKVRPEMG-UHFFFAOYSA-N
XLogP4.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.10
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

bis[3-(trifluoromethoxy)phenyl]methanone;1-bromo-3-(trifluoromethoxy)benzene;methane
CID 159656585
(4-amino-3-bromophenyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 116582102
(4,5-dibromothiophen-2-yl)-[3-(trifluoromethoxy)phenyl]methanone
CID 114971371
(4-aminophenyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 116548826
(4-amino-3-methylphenyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 116554006
3-(trifluoromethoxy)benzamide;hydrochloride
CID 66971456
(2-bromo-6-fluorophenyl)-(4-fluorophenyl)methanone
CID 114558647
5-(trifluoromethoxy)-2-[3-(trifluoromethoxy)benzoyl]benzoic acid
CID 22079272
(4-ethylphenyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 63411511
(5-fluoro-2-methylphenyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 22079253
2-fluoro-6-[3-(trifluoromethoxy)phenyl]benzoic acid
CID 53228236
(3-amino-4-pyridinyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 53414379

Frequently Asked Questions

What is the IUPAC name of (2-bromo-6-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanone?
The IUPAC name of (2-bromo-6-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanone (CID 114885417) is (2-bromo-6-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanone.
What is the SMILES notation for (2-bromo-6-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanone?
The canonical SMILES for (2-bromo-6-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanone is O=C(c1cccc(OC(F)(F)F)c1)c1c(F)cccc1Br.
What is the InChIKey of (2-bromo-6-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanone?
The InChIKey is QPWQQPXKVRPEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrF4O2/c15-10-5-2-6-11(16)12(10)13(20)8-3-1-4-9(7-8)21-14(17,18)19/h1-7H.
What are the key properties of (2-bromo-6-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanone?
(2-bromo-6-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanone has a molecular weight of 363.10 g/mol, XLogP of 4.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-6-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanone is sourced from PubChem (CID 114885417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).