[4-bromo-2-(trifluoromethyl)phenyl]-(5-chloro-2-hydroxyphenyl)methanone

C14H7BrClF3O2 — CID 58962414

IUPAC[4-bromo-2-(trifluoromethyl)phenyl]-(5-chloro-2-hydroxyphenyl)methanone
SMILESO=C(c1cc(Cl)ccc1O)c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C14H7BrClF3O2/c15-7-1-3-9(11(5-7)14(17,18)19)13(21)10-6-8(16)2-4-12(10)20/h1-6,20H
InChIKeyLFMVGDQELCVLBD-UHFFFAOYSA-N
MW379.56 g/mol
LogP5.06
Rot. Bonds2

About [4-bromo-2-(trifluoromethyl)phenyl]-(5-chloro-2-hydroxyphenyl)methanone

[4-bromo-2-(trifluoromethyl)phenyl]-(5-chloro-2-hydroxyphenyl)methanone (PubChem CID 58962414) has the molecular formula C14H7BrClF3O2 and a molecular weight of 379.56 g/mol. Its IUPAC name is [4-bromo-2-(trifluoromethyl)phenyl]-(5-chloro-2-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[4-bromo-2-(trifluoromethyl)phenyl]-(5-chloro-2-hydroxyphenyl)methanone
PubChem CID58962414
Molecular FormulaC14H7BrClF3O2
Molecular Weight379.56 g/mol
Exact Mass377.93
IUPAC Name[4-bromo-2-(trifluoromethyl)phenyl]-(5-chloro-2-hydroxyphenyl)methanone
SMILESO=C(c1cc(Cl)ccc1O)c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C14H7BrClF3O2/c15-7-1-3-9(11(5-7)14(17,18)19)13(21)10-6-8(16)2-4-12(10)20/h1-6,20H
InChIKeyLFMVGDQELCVLBD-UHFFFAOYSA-N
XLogP5.06
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.56
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-bromo-2-(trifluoromethyl)phenyl]-(3,4-dichlorophenyl)methanone
CID 63409381
[4-bromo-2-(trifluoromethyl)phenyl]-(2,5-dimethylfuran-3-yl)methanone
CID 107332666
(4-bromo-2-chlorophenyl)-(2,5-dichlorophenyl)methanone
CID 43805120
(2,5-dichlorophenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 43344618
[4-bromo-2-(trifluoromethyl)phenyl]-thiophen-2-ylmethanone
CID 62690339
N-[3-bromo-5-(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide
CID 71381238
(5-bromo-2-fluorophenyl)-(4-chloro-2-fluorophenyl)methanone
CID 79743347
[4-bromo-2-(trifluoromethyl)phenyl]-(4-chloro-1-methylpyrazol-5-yl)methanone
CID 114639788
(3-bromofuran-2-yl)-[4-bromo-2-(trifluoromethyl)phenyl]methanone
CID 63943403
4-chloro-2-(trifluoromethyl)benzamide;dihydrochloride
CID 22563807
(4-bromo-2-methylphenyl)-(2,5-dichlorophenyl)methanone
CID 43629690
(5-chloro-2-hydroxyphenyl)-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone
CID 171349224

Frequently Asked Questions

What is the IUPAC name of [4-bromo-2-(trifluoromethyl)phenyl]-(5-chloro-2-hydroxyphenyl)methanone?
The IUPAC name of [4-bromo-2-(trifluoromethyl)phenyl]-(5-chloro-2-hydroxyphenyl)methanone (CID 58962414) is [4-bromo-2-(trifluoromethyl)phenyl]-(5-chloro-2-hydroxyphenyl)methanone.
What is the SMILES notation for [4-bromo-2-(trifluoromethyl)phenyl]-(5-chloro-2-hydroxyphenyl)methanone?
The canonical SMILES for [4-bromo-2-(trifluoromethyl)phenyl]-(5-chloro-2-hydroxyphenyl)methanone is O=C(c1cc(Cl)ccc1O)c1ccc(Br)cc1C(F)(F)F.
What is the InChIKey of [4-bromo-2-(trifluoromethyl)phenyl]-(5-chloro-2-hydroxyphenyl)methanone?
The InChIKey is LFMVGDQELCVLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrClF3O2/c15-7-1-3-9(11(5-7)14(17,18)19)13(21)10-6-8(16)2-4-12(10)20/h1-6,20H.
What are the key properties of [4-bromo-2-(trifluoromethyl)phenyl]-(5-chloro-2-hydroxyphenyl)methanone?
[4-bromo-2-(trifluoromethyl)phenyl]-(5-chloro-2-hydroxyphenyl)methanone has a molecular weight of 379.56 g/mol, XLogP of 5.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-2-(trifluoromethyl)phenyl]-(5-chloro-2-hydroxyphenyl)methanone is sourced from PubChem (CID 58962414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).