(3-bromo-2-fluorophenyl)-(2,5-dichlorophenyl)methanone

C13H6BrCl2FO — CID 106647466

IUPAC(3-bromo-2-fluorophenyl)-(2,5-dichlorophenyl)methanone
SMILESO=C(c1cc(Cl)ccc1Cl)c1cccc(Br)c1F
InChIInChI=1S/C13H6BrCl2FO/c14-10-3-1-2-8(12(10)17)13(18)9-6-7(15)4-5-11(9)16/h1-6H
InChIKeyNFDCONZWYIAFHO-UHFFFAOYSA-N
MW348.00 g/mol
LogP5.13
Rot. Bonds2

About (3-bromo-2-fluorophenyl)-(2,5-dichlorophenyl)methanone

(3-bromo-2-fluorophenyl)-(2,5-dichlorophenyl)methanone (PubChem CID 106647466) has the molecular formula C13H6BrCl2FO and a molecular weight of 348.00 g/mol. Its IUPAC name is (3-bromo-2-fluorophenyl)-(2,5-dichlorophenyl)methanone.

Molecular Properties

Compound Name(3-bromo-2-fluorophenyl)-(2,5-dichlorophenyl)methanone
PubChem CID106647466
Molecular FormulaC13H6BrCl2FO
Molecular Weight348.00 g/mol
Exact Mass345.90
IUPAC Name(3-bromo-2-fluorophenyl)-(2,5-dichlorophenyl)methanone
SMILESO=C(c1cc(Cl)ccc1Cl)c1cccc(Br)c1F
InChIInChI=1S/C13H6BrCl2FO/c14-10-3-1-2-8(12(10)17)13(18)9-6-7(15)4-5-11(9)16/h1-6H
InChIKeyNFDCONZWYIAFHO-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

(4-amino-2-chlorophenyl)-(3-bromo-2-fluorophenyl)methanone
CID 114020550
(3-bromo-2-fluorophenyl)-(2,3,4,6-tetrachlorophenyl)methanone
CID 107950079
(3-bromo-2-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanone
CID 107949792
(3-bromo-2-fluorophenyl)-(3-chloro-4-pyridinyl)methanone
CID 106647496
(3-bromo-2-fluorophenyl)-(2-chloro-4-methoxyphenyl)methanone
CID 114019728
(3-chloro-2-fluorophenyl)-(2,4-dichlorophenyl)methanone
CID 81265376
(2-bromophenyl)-(2-chloro-5-fluorophenyl)methanone
CID 105394203
(2-chloro-4,5-difluorophenyl)-(2,3-difluorophenyl)methanone
CID 107475712
(3-bromo-2-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanone
CID 114020633
(3-bromo-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone
CID 107949862
(2-bromo-4-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methanone
CID 114025571
(2-bromo-4-chlorophenyl)-(2-fluorophenyl)methanone
CID 107996260

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-fluorophenyl)-(2,5-dichlorophenyl)methanone?
The IUPAC name of (3-bromo-2-fluorophenyl)-(2,5-dichlorophenyl)methanone (CID 106647466) is (3-bromo-2-fluorophenyl)-(2,5-dichlorophenyl)methanone.
What is the SMILES notation for (3-bromo-2-fluorophenyl)-(2,5-dichlorophenyl)methanone?
The canonical SMILES for (3-bromo-2-fluorophenyl)-(2,5-dichlorophenyl)methanone is O=C(c1cc(Cl)ccc1Cl)c1cccc(Br)c1F.
What is the InChIKey of (3-bromo-2-fluorophenyl)-(2,5-dichlorophenyl)methanone?
The InChIKey is NFDCONZWYIAFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6BrCl2FO/c14-10-3-1-2-8(12(10)17)13(18)9-6-7(15)4-5-11(9)16/h1-6H.
What are the key properties of (3-bromo-2-fluorophenyl)-(2,5-dichlorophenyl)methanone?
(3-bromo-2-fluorophenyl)-(2,5-dichlorophenyl)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-2-fluorophenyl)-(2,5-dichlorophenyl)methanone is sourced from PubChem (CID 106647466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).