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

C14H6Br2F4O — CID 106647447

IUPAC(3-bromo-2-fluorophenyl)-[2-bromo-5-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cc(C(F)(F)F)ccc1Br)c1cccc(Br)c1F
InChIInChI=1S/C14H6Br2F4O/c15-10-5-4-7(14(18,19)20)6-9(10)13(21)8-2-1-3-11(16)12(8)17/h1-6H
InChIKeySBAHZGSANRKLEQ-UHFFFAOYSA-N
MW426.00 g/mol
LogP5.60
Rot. Bonds2

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

(3-bromo-2-fluorophenyl)-[2-bromo-5-(trifluoromethyl)phenyl]methanone (PubChem CID 106647447) has the molecular formula C14H6Br2F4O and a molecular weight of 426.00 g/mol. Its IUPAC name is (3-bromo-2-fluorophenyl)-[2-bromo-5-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(3-bromo-2-fluorophenyl)-[2-bromo-5-(trifluoromethyl)phenyl]methanone
PubChem CID106647447
Molecular FormulaC14H6Br2F4O
Molecular Weight426.00 g/mol
Exact Mass423.87
IUPAC Name(3-bromo-2-fluorophenyl)-[2-bromo-5-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cc(C(F)(F)F)ccc1Br)c1cccc(Br)c1F
InChIInChI=1S/C14H6Br2F4O/c15-10-5-4-7(14(18,19)20)6-9(10)13(21)8-2-1-3-11(16)12(8)17/h1-6H
InChIKeySBAHZGSANRKLEQ-UHFFFAOYSA-N
XLogP5.60
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.00
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[2-bromo-5-(trifluoromethyl)phenyl]-(3-fluorophenyl)methanone
CID 114962698
[2-bromo-5-(trifluoromethyl)phenyl]-(3,5-difluorophenyl)methanone
CID 114970525
(3-bromo-2-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanone
CID 114020633
(3-bromo-2-fluorophenyl)-(2,5-dichlorophenyl)methanone
CID 106647466
(3-bromo-2-fluorophenyl)-(2-tert-butylphenyl)methanone
CID 106647329
(3-bromo-2,6-difluorophenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 106941639
[3,5-bis(trifluoromethyl)phenyl]-(2-bromophenyl)methanone
CID 172878103
(3-bromo-2-fluorophenyl)-(2,5-dimethylphenyl)methanone
CID 106647432
2-bromo-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzamide
CID 63049440
(3-bromo-2-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanone
CID 107949792
1-(3-bromo-2-fluorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
CID 106647523
(3-bromo-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone
CID 107949862

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-fluorophenyl)-[2-bromo-5-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (3-bromo-2-fluorophenyl)-[2-bromo-5-(trifluoromethyl)phenyl]methanone (CID 106647447) is (3-bromo-2-fluorophenyl)-[2-bromo-5-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (3-bromo-2-fluorophenyl)-[2-bromo-5-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (3-bromo-2-fluorophenyl)-[2-bromo-5-(trifluoromethyl)phenyl]methanone is O=C(c1cc(C(F)(F)F)ccc1Br)c1cccc(Br)c1F.
What is the InChIKey of (3-bromo-2-fluorophenyl)-[2-bromo-5-(trifluoromethyl)phenyl]methanone?
The InChIKey is SBAHZGSANRKLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6Br2F4O/c15-10-5-4-7(14(18,19)20)6-9(10)13(21)8-2-1-3-11(16)12(8)17/h1-6H.
What are the key properties of (3-bromo-2-fluorophenyl)-[2-bromo-5-(trifluoromethyl)phenyl]methanone?
(3-bromo-2-fluorophenyl)-[2-bromo-5-(trifluoromethyl)phenyl]methanone has a molecular weight of 426.00 g/mol, XLogP of 5.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-fluorophenyl)-[2-bromo-5-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 106647447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).