(3-bromo-5-chlorophenyl)-(2,5-difluorophenyl)methanone

C13H6BrClF2O — CID 107944439

IUPAC(3-bromo-5-chlorophenyl)-(2,5-difluorophenyl)methanone
SMILESO=C(c1cc(Cl)cc(Br)c1)c1cc(F)ccc1F
InChIInChI=1S/C13H6BrClF2O/c14-8-3-7(4-9(15)5-8)13(18)11-6-10(16)1-2-12(11)17/h1-6H
InChIKeyVNRJMZCTEMPNGU-UHFFFAOYSA-N
MW331.54 g/mol
LogP4.61
Rot. Bonds2

About (3-bromo-5-chlorophenyl)-(2,5-difluorophenyl)methanone

(3-bromo-5-chlorophenyl)-(2,5-difluorophenyl)methanone (PubChem CID 107944439) has the molecular formula C13H6BrClF2O and a molecular weight of 331.54 g/mol. Its IUPAC name is (3-bromo-5-chlorophenyl)-(2,5-difluorophenyl)methanone.

Molecular Properties

Compound Name(3-bromo-5-chlorophenyl)-(2,5-difluorophenyl)methanone
PubChem CID107944439
Molecular FormulaC13H6BrClF2O
Molecular Weight331.54 g/mol
Exact Mass329.93
IUPAC Name(3-bromo-5-chlorophenyl)-(2,5-difluorophenyl)methanone
SMILESO=C(c1cc(Cl)cc(Br)c1)c1cc(F)ccc1F
InChIInChI=1S/C13H6BrClF2O/c14-8-3-7(4-9(15)5-8)13(18)11-6-10(16)1-2-12(11)17/h1-6H
InChIKeyVNRJMZCTEMPNGU-UHFFFAOYSA-N
XLogP4.61
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.54
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3-bromo-5-chlorophenyl)-(4-chloro-2-fluorophenyl)methanone
CID 107944691
(5-bromo-2-fluorophenyl)-(2,5-difluorophenyl)methanone
CID 43337432
(3-bromo-5-chlorophenyl)-(2-methylphenyl)methanone
CID 107944273
(2,5-difluorophenyl)-(3-fluorophenyl)methanone
CID 43159843
(5-bromo-2-fluorophenyl)-(3,4,5-trifluorophenyl)methanone
CID 79743346
1,2-bis(3-bromo-5-chlorophenyl)ethane-1,2-dione
CID 139745262
3-(3-bromo-5-chlorophenyl)-2-(2,4-difluorophenyl)-3-oxopropanenitrile
CID 107956540
(2,5-difluorophenyl)-(4-propan-2-ylphenyl)methanone
CID 43159824
(3-bromo-5-chlorophenyl)-(2,5-dibromo-4-methylphenyl)methanone
CID 114019744
(3-bromo-5-fluorophenyl)-(2,3,4-trifluorophenyl)methanone
CID 66423624
(3-bromo-5-chlorophenyl)-(6-chloro-1H-indol-3-yl)methanone
CID 107949781
(2-bromophenyl)-(2,5-difluorophenyl)methanone
CID 43159861

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-chlorophenyl)-(2,5-difluorophenyl)methanone?
The IUPAC name of (3-bromo-5-chlorophenyl)-(2,5-difluorophenyl)methanone (CID 107944439) is (3-bromo-5-chlorophenyl)-(2,5-difluorophenyl)methanone.
What is the SMILES notation for (3-bromo-5-chlorophenyl)-(2,5-difluorophenyl)methanone?
The canonical SMILES for (3-bromo-5-chlorophenyl)-(2,5-difluorophenyl)methanone is O=C(c1cc(Cl)cc(Br)c1)c1cc(F)ccc1F.
What is the InChIKey of (3-bromo-5-chlorophenyl)-(2,5-difluorophenyl)methanone?
The InChIKey is VNRJMZCTEMPNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6BrClF2O/c14-8-3-7(4-9(15)5-8)13(18)11-6-10(16)1-2-12(11)17/h1-6H.
What are the key properties of (3-bromo-5-chlorophenyl)-(2,5-difluorophenyl)methanone?
(3-bromo-5-chlorophenyl)-(2,5-difluorophenyl)methanone has a molecular weight of 331.54 g/mol, XLogP of 4.61, 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)-(2,5-difluorophenyl)methanone is sourced from PubChem (CID 107944439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).