4-bromo-2-(3-chloro-1-methylcyclopentyl)-1-fluorobenzene

C12H13BrClF — CID 116540408

IUPAC4-bromo-2-(3-chloro-1-methylcyclopentyl)-1-fluorobenzene
SMILESCC1(c2cc(Br)ccc2F)CCC(Cl)C1
InChIInChI=1S/C12H13BrClF/c1-12(5-4-9(14)7-12)10-6-8(13)2-3-11(10)15/h2-3,6,9H,4-5,7H2,1H3
InChIKeyAWFDGZMFCQSXRW-UHFFFAOYSA-N
MW291.59 g/mol
LogP4.64
Rot. Bonds1

About 4-bromo-2-(3-chloro-1-methylcyclopentyl)-1-fluorobenzene

4-bromo-2-(3-chloro-1-methylcyclopentyl)-1-fluorobenzene (PubChem CID 116540408) has the molecular formula C12H13BrClF and a molecular weight of 291.59 g/mol. Its IUPAC name is 4-bromo-2-(3-chloro-1-methylcyclopentyl)-1-fluorobenzene.

Molecular Properties

Compound Name4-bromo-2-(3-chloro-1-methylcyclopentyl)-1-fluorobenzene
PubChem CID116540408
Molecular FormulaC12H13BrClF
Molecular Weight291.59 g/mol
Exact Mass289.99
IUPAC Name4-bromo-2-(3-chloro-1-methylcyclopentyl)-1-fluorobenzene
SMILESCC1(c2cc(Br)ccc2F)CCC(Cl)C1
InChIInChI=1S/C12H13BrClF/c1-12(5-4-9(14)7-12)10-6-8(13)2-3-11(10)15/h2-3,6,9H,4-5,7H2,1H3
InChIKeyAWFDGZMFCQSXRW-UHFFFAOYSA-N
XLogP4.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.59
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(3-chloro-1-methylcyclopentyl)-4-fluoro-1-methylbenzene
CID 116540187
4-(3-chloro-1-methylcyclopentyl)-2-fluoro-1-(trifluoromethyl)benzene
CID 107290355
3-(5-bromo-2-fluorophenyl)-3-chlorooxetane
CID 116876552
2-(3-chloro-1-methylcyclopentyl)-1,4-dimethoxybenzene
CID 116540274
N-[(5-bromo-2-fluorophenyl)methyl]-2,2-dimethylcyclopropan-1-amine
CID 61221751
3-(3-chloro-1-methylcyclopentyl)-4-methylpyridine
CID 116540327
3-(5-bromo-2-fluorophenyl)-3-methyl-5-oxopyrrolidine-2-carboxylic acid
CID 105360066
1-(5-bromo-2-fluorophenyl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 79743510
(6S)-6-(5-bromo-2-fluorophenyl)-6-methyl-4,5-dihydro-1,3-thiazin-2-amine
CID 67025525
4-(5-bromo-2-fluorophenyl)-1-methylpiperidin-4-ol
CID 79742352
[2-(5-bromo-2-fluorophenyl)-4,4-dimethylcyclohexyl]methanamine
CID 81011493
1-(5-bromo-2-fluorophenyl)-2-(hydroxymethyl)cyclopropane-1-carboxylic acid
CID 142766516

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(3-chloro-1-methylcyclopentyl)-1-fluorobenzene?
The IUPAC name of 4-bromo-2-(3-chloro-1-methylcyclopentyl)-1-fluorobenzene (CID 116540408) is 4-bromo-2-(3-chloro-1-methylcyclopentyl)-1-fluorobenzene.
What is the SMILES notation for 4-bromo-2-(3-chloro-1-methylcyclopentyl)-1-fluorobenzene?
The canonical SMILES for 4-bromo-2-(3-chloro-1-methylcyclopentyl)-1-fluorobenzene is CC1(c2cc(Br)ccc2F)CCC(Cl)C1.
What is the InChIKey of 4-bromo-2-(3-chloro-1-methylcyclopentyl)-1-fluorobenzene?
The InChIKey is AWFDGZMFCQSXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrClF/c1-12(5-4-9(14)7-12)10-6-8(13)2-3-11(10)15/h2-3,6,9H,4-5,7H2,1H3.
What are the key properties of 4-bromo-2-(3-chloro-1-methylcyclopentyl)-1-fluorobenzene?
4-bromo-2-(3-chloro-1-methylcyclopentyl)-1-fluorobenzene has a molecular weight of 291.59 g/mol, XLogP of 4.64, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(3-chloro-1-methylcyclopentyl)-1-fluorobenzene is sourced from PubChem (CID 116540408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).