(3-bromo-5-chlorophenyl)-(4-chloro-2-fluorophenyl)methanone

C13H6BrCl2FO — CID 107944691

IUPAC(3-bromo-5-chlorophenyl)-(4-chloro-2-fluorophenyl)methanone
SMILESO=C(c1cc(Cl)cc(Br)c1)c1ccc(Cl)cc1F
InChIInChI=1S/C13H6BrCl2FO/c14-8-3-7(4-10(16)5-8)13(18)11-2-1-9(15)6-12(11)17/h1-6H
InChIKeyHDGBIMZIYBAJJY-UHFFFAOYSA-N
MW348.00 g/mol
LogP5.13
Rot. Bonds2

About (3-bromo-5-chlorophenyl)-(4-chloro-2-fluorophenyl)methanone

(3-bromo-5-chlorophenyl)-(4-chloro-2-fluorophenyl)methanone (PubChem CID 107944691) has the molecular formula C13H6BrCl2FO and a molecular weight of 348.00 g/mol. Its IUPAC name is (3-bromo-5-chlorophenyl)-(4-chloro-2-fluorophenyl)methanone.

Molecular Properties

Compound Name(3-bromo-5-chlorophenyl)-(4-chloro-2-fluorophenyl)methanone
PubChem CID107944691
Molecular FormulaC13H6BrCl2FO
Molecular Weight348.00 g/mol
Exact Mass345.90
IUPAC Name(3-bromo-5-chlorophenyl)-(4-chloro-2-fluorophenyl)methanone
SMILESO=C(c1cc(Cl)cc(Br)c1)c1ccc(Cl)cc1F
InChIInChI=1S/C13H6BrCl2FO/c14-8-3-7(4-10(16)5-8)13(18)11-2-1-9(15)6-12(11)17/h1-6H
InChIKeyHDGBIMZIYBAJJY-UHFFFAOYSA-N
XLogP5.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.00
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3-bromo-5-chlorophenyl)-(2,5-difluorophenyl)methanone
CID 107944439
(5-bromo-2-fluorophenyl)-(4-chloro-2-fluorophenyl)methanone
CID 79743347
(4-chloro-2-fluorophenyl)-(3,4-difluorophenyl)methanone
CID 43338232
(3-bromo-5-chlorophenyl)-(6-chloro-1H-indol-3-yl)methanone
CID 107949781
(3-bromo-5-chlorophenyl)-(2-methylphenyl)methanone
CID 107944273
1,2-bis(3-bromo-5-chlorophenyl)ethane-1,2-dione
CID 139745262
(2-bromo-4-chlorophenyl)-(3,5-difluorophenyl)methanone
CID 107996333
(3-bromo-5-fluorophenyl)-(2,3,4-trifluorophenyl)methanone
CID 66423624
(3-bromo-5-chlorophenyl)-(2,5-dibromo-4-methylphenyl)methanone
CID 114019744
(3-bromo-4-methoxyphenyl)-(4-chloro-2-fluorophenyl)methanone
CID 43339851
(4-chloro-2-fluorophenyl)-(4-methoxy-3,5-dimethylphenyl)methanone
CID 83057194
(4-chloro-2-fluorophenyl)-(2,3,4,5,6-pentafluorophenyl)methanone
CID 115791516

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-chlorophenyl)-(4-chloro-2-fluorophenyl)methanone?
The IUPAC name of (3-bromo-5-chlorophenyl)-(4-chloro-2-fluorophenyl)methanone (CID 107944691) is (3-bromo-5-chlorophenyl)-(4-chloro-2-fluorophenyl)methanone.
What is the SMILES notation for (3-bromo-5-chlorophenyl)-(4-chloro-2-fluorophenyl)methanone?
The canonical SMILES for (3-bromo-5-chlorophenyl)-(4-chloro-2-fluorophenyl)methanone is O=C(c1cc(Cl)cc(Br)c1)c1ccc(Cl)cc1F.
What is the InChIKey of (3-bromo-5-chlorophenyl)-(4-chloro-2-fluorophenyl)methanone?
The InChIKey is HDGBIMZIYBAJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6BrCl2FO/c14-8-3-7(4-10(16)5-8)13(18)11-2-1-9(15)6-12(11)17/h1-6H.
What are the key properties of (3-bromo-5-chlorophenyl)-(4-chloro-2-fluorophenyl)methanone?
(3-bromo-5-chlorophenyl)-(4-chloro-2-fluorophenyl)methanone has a molecular weight of 348.00 g/mol, XLogP of 5.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-chlorophenyl)-(4-chloro-2-fluorophenyl)methanone is sourced from PubChem (CID 107944691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).