(2-bromo-6-fluorophenyl)-cyclopentylmethanone

C12H12BrFO — CID 114885328

IUPAC(2-bromo-6-fluorophenyl)-cyclopentylmethanone
SMILESO=C(c1c(F)cccc1Br)C1CCCC1
InChIInChI=1S/C12H12BrFO/c13-9-6-3-7-10(14)11(9)12(15)8-4-1-2-5-8/h3,6-8H,1-2,4-5H2
InChIKeyCRBZCWXEMSXNRY-UHFFFAOYSA-N
MW271.13 g/mol
LogP3.96
Rot. Bonds2

About (2-bromo-6-fluorophenyl)-cyclopentylmethanone

(2-bromo-6-fluorophenyl)-cyclopentylmethanone (PubChem CID 114885328) has the molecular formula C12H12BrFO and a molecular weight of 271.13 g/mol. Its IUPAC name is (2-bromo-6-fluorophenyl)-cyclopentylmethanone.

Molecular Properties

Compound Name(2-bromo-6-fluorophenyl)-cyclopentylmethanone
PubChem CID114885328
Molecular FormulaC12H12BrFO
Molecular Weight271.13 g/mol
Exact Mass270.01
IUPAC Name(2-bromo-6-fluorophenyl)-cyclopentylmethanone
SMILESO=C(c1c(F)cccc1Br)C1CCCC1
InChIInChI=1S/C12H12BrFO/c13-9-6-3-7-10(14)11(9)12(15)8-4-1-2-5-8/h3,6-8H,1-2,4-5H2
InChIKeyCRBZCWXEMSXNRY-UHFFFAOYSA-N
XLogP3.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.13
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-6-fluorophenyl)-2-cyclopentylethanone
CID 114885274
2-bromo-N-(cyclopentylmethyl)-6-fluorobenzamide
CID 115678359
(2-bromo-6-fluorophenyl)-[2-(bromomethyl)azepan-1-yl]methanone
CID 114561150
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(2-bromo-6-fluorophenyl)methanone
CID 115678205
(3-aminocyclohexyl)-(2,6-difluorophenyl)methanone
CID 116568844
2-[1-(2-bromo-6-fluorobenzoyl)piperidin-2-yl]acetic acid
CID 114558491
1-(2-bromo-6-fluorobenzoyl)-N-methylpiperidine-3-carboxamide
CID 103733703
methyl (3S)-1-(2-bromo-6-fluorobenzoyl)piperidine-3-carboxylate
CID 103733467
cyclopentyl-(2,6-dimethylphenyl)methanone
CID 24724167
2-bromo-6-fluoro-N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 106361705
2-bromo-N-cyclopentyl-6-fluoro-N-(2-methylpropyl)benzamide
CID 114559684
(3-bromo-2-methylphenyl)-cyclohexylmethanone
CID 114962200

Frequently Asked Questions

What is the IUPAC name of (2-bromo-6-fluorophenyl)-cyclopentylmethanone?
The IUPAC name of (2-bromo-6-fluorophenyl)-cyclopentylmethanone (CID 114885328) is (2-bromo-6-fluorophenyl)-cyclopentylmethanone.
What is the SMILES notation for (2-bromo-6-fluorophenyl)-cyclopentylmethanone?
The canonical SMILES for (2-bromo-6-fluorophenyl)-cyclopentylmethanone is O=C(c1c(F)cccc1Br)C1CCCC1.
What is the InChIKey of (2-bromo-6-fluorophenyl)-cyclopentylmethanone?
The InChIKey is CRBZCWXEMSXNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFO/c13-9-6-3-7-10(14)11(9)12(15)8-4-1-2-5-8/h3,6-8H,1-2,4-5H2.
What are the key properties of (2-bromo-6-fluorophenyl)-cyclopentylmethanone?
(2-bromo-6-fluorophenyl)-cyclopentylmethanone has a molecular weight of 271.13 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-6-fluorophenyl)-cyclopentylmethanone is sourced from PubChem (CID 114885328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).