1-(3-bromo-2-chlorophenyl)-2-(3-fluorophenyl)ethanone

C14H9BrClFO — CID 113403008

IUPAC1-(3-bromo-2-chlorophenyl)-2-(3-fluorophenyl)ethanone
SMILESO=C(Cc1cccc(F)c1)c1cccc(Br)c1Cl
InChIInChI=1S/C14H9BrClFO/c15-12-6-2-5-11(14(12)16)13(18)8-9-3-1-4-10(17)7-9/h1-7H,8H2
InChIKeySFEPUEOTJVQEHG-UHFFFAOYSA-N
MW327.58 g/mol
LogP4.67
Rot. Bonds3

About 1-(3-bromo-2-chlorophenyl)-2-(3-fluorophenyl)ethanone

1-(3-bromo-2-chlorophenyl)-2-(3-fluorophenyl)ethanone (PubChem CID 113403008) has the molecular formula C14H9BrClFO and a molecular weight of 327.58 g/mol. Its IUPAC name is 1-(3-bromo-2-chlorophenyl)-2-(3-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(3-bromo-2-chlorophenyl)-2-(3-fluorophenyl)ethanone
PubChem CID113403008
Molecular FormulaC14H9BrClFO
Molecular Weight327.58 g/mol
Exact Mass325.95
IUPAC Name1-(3-bromo-2-chlorophenyl)-2-(3-fluorophenyl)ethanone
SMILESO=C(Cc1cccc(F)c1)c1cccc(Br)c1Cl
InChIInChI=1S/C14H9BrClFO/c15-12-6-2-5-11(14(12)16)13(18)8-9-3-1-4-10(17)7-9/h1-7H,8H2
InChIKeySFEPUEOTJVQEHG-UHFFFAOYSA-N
XLogP4.67
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.58
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-5-chloro-2-fluorophenyl)-2-(3-fluorophenyl)ethanone
CID 105398326
1-(3-bromo-2-chlorophenyl)-2-(4-fluoro-2-methylphenyl)ethanone
CID 115812770
1-(2-amino-5-fluorophenyl)-2-(3-fluorophenyl)ethanone
CID 82685528
1-(3-bromo-2-chlorophenyl)-2-(4-propan-2-ylphenyl)ethanone
CID 114968423
1-(5-amino-2-chlorophenyl)-2-(3-fluorophenyl)ethanone
CID 147059181
1-(3-bromo-2-chlorophenyl)-2-(4-bromo-2-chlorophenyl)ethanone
CID 115802017
1-(4-bromo-3-chloro-2-fluorophenyl)-2-(3,5-difluorophenyl)ethanone
CID 106761722
1-(3-bromophenyl)-2-(3-fluorophenyl)ethanone
CID 24723944
1-(3-bromofuran-2-yl)-2-(3-fluorophenyl)ethanone
CID 63941843
1-(3-bromo-2-chlorophenyl)-2-(1-methylpyrazol-4-yl)ethanone
CID 114965321
3-bromo-2-chloro-N-[2-(3,5-difluorophenyl)ethyl]benzamide
CID 103989302
1-(4-amino-3,5-dichlorophenyl)-2-(3-fluorophenyl)ethanone
CID 116609736

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-chlorophenyl)-2-(3-fluorophenyl)ethanone?
The IUPAC name of 1-(3-bromo-2-chlorophenyl)-2-(3-fluorophenyl)ethanone (CID 113403008) is 1-(3-bromo-2-chlorophenyl)-2-(3-fluorophenyl)ethanone.
What is the SMILES notation for 1-(3-bromo-2-chlorophenyl)-2-(3-fluorophenyl)ethanone?
The canonical SMILES for 1-(3-bromo-2-chlorophenyl)-2-(3-fluorophenyl)ethanone is O=C(Cc1cccc(F)c1)c1cccc(Br)c1Cl.
What is the InChIKey of 1-(3-bromo-2-chlorophenyl)-2-(3-fluorophenyl)ethanone?
The InChIKey is SFEPUEOTJVQEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClFO/c15-12-6-2-5-11(14(12)16)13(18)8-9-3-1-4-10(17)7-9/h1-7H,8H2.
What are the key properties of 1-(3-bromo-2-chlorophenyl)-2-(3-fluorophenyl)ethanone?
1-(3-bromo-2-chlorophenyl)-2-(3-fluorophenyl)ethanone has a molecular weight of 327.58 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-chlorophenyl)-2-(3-fluorophenyl)ethanone is sourced from PubChem (CID 113403008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).