(3-bromo-4-fluorophenyl)-(2-bromophenyl)methanone

C13H7Br2FO — CID 79736368

IUPAC(3-bromo-4-fluorophenyl)-(2-bromophenyl)methanone
SMILESO=C(c1ccc(F)c(Br)c1)c1ccccc1Br
InChIInChI=1S/C13H7Br2FO/c14-10-4-2-1-3-9(10)13(17)8-5-6-12(16)11(15)7-8/h1-7H
InChIKeyVBUZQLMECUCXOJ-UHFFFAOYSA-N
MW358.00 g/mol
LogP4.58
Rot. Bonds2

About (3-bromo-4-fluorophenyl)-(2-bromophenyl)methanone

(3-bromo-4-fluorophenyl)-(2-bromophenyl)methanone (PubChem CID 79736368) has the molecular formula C13H7Br2FO and a molecular weight of 358.00 g/mol. Its IUPAC name is (3-bromo-4-fluorophenyl)-(2-bromophenyl)methanone.

Molecular Properties

Compound Name(3-bromo-4-fluorophenyl)-(2-bromophenyl)methanone
PubChem CID79736368
Molecular FormulaC13H7Br2FO
Molecular Weight358.00 g/mol
Exact Mass355.88
IUPAC Name(3-bromo-4-fluorophenyl)-(2-bromophenyl)methanone
SMILESO=C(c1ccc(F)c(Br)c1)c1ccccc1Br
InChIInChI=1S/C13H7Br2FO/c14-10-4-2-1-3-9(10)13(17)8-5-6-12(16)11(15)7-8/h1-7H
InChIKeyVBUZQLMECUCXOJ-UHFFFAOYSA-N
XLogP4.58
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.00
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[6-(2-bromobenzoyl)naphthalen-2-yl]-(2-bromophenyl)methanone
CID 139602741
bis[4-(2-bromobenzoyl)phenyl]methanone
CID 22494547
(3-bromo-4-fluorophenyl)-(4-methylnaphthalen-1-yl)methanone
CID 107949912
(3-bromo-4-fluorophenyl)-(4-bromothiophen-3-yl)methanone
CID 82808642
(2-bromophenyl)-(2,5-difluorophenyl)methanone
CID 43159861
3-(3-bromo-4-fluorobenzoyl)pyridine-2-carbonitrile
CID 59327522
3-bromo-4-fluorobenzoyl bromide
CID 3018761
(3-bromo-4-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanone
CID 107949762
2-bromo-1-(3-bromo-4-fluorophenyl)ethanone
CID 2782783
(2-bromophenyl)-(3-chloro-4-methylphenyl)methanone
CID 24723106
(3-bromo-4-fluorophenyl)-(2-chloro-6-fluorophenyl)methanone
CID 79736530
(3-bromo-4-fluorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
CID 114019742

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-fluorophenyl)-(2-bromophenyl)methanone?
The IUPAC name of (3-bromo-4-fluorophenyl)-(2-bromophenyl)methanone (CID 79736368) is (3-bromo-4-fluorophenyl)-(2-bromophenyl)methanone.
What is the SMILES notation for (3-bromo-4-fluorophenyl)-(2-bromophenyl)methanone?
The canonical SMILES for (3-bromo-4-fluorophenyl)-(2-bromophenyl)methanone is O=C(c1ccc(F)c(Br)c1)c1ccccc1Br.
What is the InChIKey of (3-bromo-4-fluorophenyl)-(2-bromophenyl)methanone?
The InChIKey is VBUZQLMECUCXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Br2FO/c14-10-4-2-1-3-9(10)13(17)8-5-6-12(16)11(15)7-8/h1-7H.
What are the key properties of (3-bromo-4-fluorophenyl)-(2-bromophenyl)methanone?
(3-bromo-4-fluorophenyl)-(2-bromophenyl)methanone has a molecular weight of 358.00 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-fluorophenyl)-(2-bromophenyl)methanone is sourced from PubChem (CID 79736368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).