1-bromo-2-[(3-chloro-2-methylcyclopentyl)methyl]-4-fluorobenzene

C13H15BrClF — CID 64910113

IUPAC1-bromo-2-[(3-chloro-2-methylcyclopentyl)methyl]-4-fluorobenzene
SMILESCC1C(Cl)CCC1Cc1cc(F)ccc1Br
InChIInChI=1S/C13H15BrClF/c1-8-9(2-5-13(8)15)6-10-7-11(16)3-4-12(10)14/h3-4,7-9,13H,2,5-6H2,1H3
InChIKeyMBBKGIUHILLGNJ-UHFFFAOYSA-N
MW305.62 g/mol
LogP4.78
Rot. Bonds2

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

1-bromo-2-[(3-chloro-2-methylcyclopentyl)methyl]-4-fluorobenzene (PubChem CID 64910113) has the molecular formula C13H15BrClF and a molecular weight of 305.62 g/mol. Its IUPAC name is 1-bromo-2-[(3-chloro-2-methylcyclopentyl)methyl]-4-fluorobenzene.

Molecular Properties

Compound Name1-bromo-2-[(3-chloro-2-methylcyclopentyl)methyl]-4-fluorobenzene
PubChem CID64910113
Molecular FormulaC13H15BrClF
Molecular Weight305.62 g/mol
Exact Mass304.00
IUPAC Name1-bromo-2-[(3-chloro-2-methylcyclopentyl)methyl]-4-fluorobenzene
SMILESCC1C(Cl)CCC1Cc1cc(F)ccc1Br
InChIInChI=1S/C13H15BrClF/c1-8-9(2-5-13(8)15)6-10-7-11(16)3-4-12(10)14/h3-4,7-9,13H,2,5-6H2,1H3
InChIKeyMBBKGIUHILLGNJ-UHFFFAOYSA-N
XLogP4.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.62
LogP ≤ 54.78
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

1-[(3-chloro-2-methylcyclopentyl)methyl]-2,4-difluorobenzene
CID 64908376
1-[(3-chloro-2-methylcyclopentyl)methyl]-4-fluoro-2-methylbenzene
CID 114349477
3-[(2-bromo-5-fluorophenyl)methyl]-N,2-dimethylcyclopentan-1-amine
CID 64908983
2-[(2-bromo-5-fluorophenyl)methyl]cyclobutan-1-amine
CID 81015031
1-bromo-3-[(3-chloro-2-methylcyclopentyl)methyl]-2,4-difluorobenzene
CID 106273167
1-[2-[(2-bromo-5-fluorophenyl)methyl]cyclopentyl]-N-methylmethanamine
CID 81033459
2-[(2-bromo-5-fluorophenyl)methyl]-4-methylcyclohexane-1-carboxylic acid
CID 81020954
2-[(2-bromo-5-fluorophenyl)methyl]-4,4-dimethylcyclohexan-1-amine
CID 81014650
3-[(2,5-difluorophenyl)methyl]-2-methylcyclopentan-1-amine
CID 64910057
2-[(2-bromo-5-fluorophenyl)methyl]-N-ethyl-4-methylcyclohexan-1-amine
CID 63403747
1-bromo-2-[(3-chlorocyclohexyl)methyl]-4-fluorobenzene
CID 64515684
2-[(2-bromo-5-fluorophenyl)methyl]-4-ethylcyclohexan-1-ol
CID 63460147

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[(3-chloro-2-methylcyclopentyl)methyl]-4-fluorobenzene?
The IUPAC name of 1-bromo-2-[(3-chloro-2-methylcyclopentyl)methyl]-4-fluorobenzene (CID 64910113) is 1-bromo-2-[(3-chloro-2-methylcyclopentyl)methyl]-4-fluorobenzene.
What is the SMILES notation for 1-bromo-2-[(3-chloro-2-methylcyclopentyl)methyl]-4-fluorobenzene?
The canonical SMILES for 1-bromo-2-[(3-chloro-2-methylcyclopentyl)methyl]-4-fluorobenzene is CC1C(Cl)CCC1Cc1cc(F)ccc1Br.
What is the InChIKey of 1-bromo-2-[(3-chloro-2-methylcyclopentyl)methyl]-4-fluorobenzene?
The InChIKey is MBBKGIUHILLGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrClF/c1-8-9(2-5-13(8)15)6-10-7-11(16)3-4-12(10)14/h3-4,7-9,13H,2,5-6H2,1H3.
What are the key properties of 1-bromo-2-[(3-chloro-2-methylcyclopentyl)methyl]-4-fluorobenzene?
1-bromo-2-[(3-chloro-2-methylcyclopentyl)methyl]-4-fluorobenzene has a molecular weight of 305.62 g/mol, XLogP of 4.78, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[(3-chloro-2-methylcyclopentyl)methyl]-4-fluorobenzene is sourced from PubChem (CID 64910113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).