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

C13H15Br2F — CID 64907534

IUPAC2-bromo-4-[(3-bromo-2-methylcyclopentyl)methyl]-1-fluorobenzene
SMILESCC1C(Br)CCC1Cc1ccc(F)c(Br)c1
InChIInChI=1S/C13H15Br2F/c1-8-10(3-4-11(8)14)6-9-2-5-13(16)12(15)7-9/h2,5,7-8,10-11H,3-4,6H2,1H3
InChIKeyAGBMPKQCZJMEPZ-UHFFFAOYSA-N
MW350.07 g/mol
LogP4.94
Rot. Bonds2

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

2-bromo-4-[(3-bromo-2-methylcyclopentyl)methyl]-1-fluorobenzene (PubChem CID 64907534) has the molecular formula C13H15Br2F and a molecular weight of 350.07 g/mol. Its IUPAC name is 2-bromo-4-[(3-bromo-2-methylcyclopentyl)methyl]-1-fluorobenzene.

Molecular Properties

Compound Name2-bromo-4-[(3-bromo-2-methylcyclopentyl)methyl]-1-fluorobenzene
PubChem CID64907534
Molecular FormulaC13H15Br2F
Molecular Weight350.07 g/mol
Exact Mass347.95
IUPAC Name2-bromo-4-[(3-bromo-2-methylcyclopentyl)methyl]-1-fluorobenzene
SMILESCC1C(Br)CCC1Cc1ccc(F)c(Br)c1
InChIInChI=1S/C13H15Br2F/c1-8-10(3-4-11(8)14)6-9-2-5-13(16)12(15)7-9/h2,5,7-8,10-11H,3-4,6H2,1H3
InChIKeyAGBMPKQCZJMEPZ-UHFFFAOYSA-N
XLogP4.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.07
LogP ≤ 54.94
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

(3-bromo-2-methylcyclopentyl)methylbenzene
CID 64907307
3-[(3-chloro-4-fluorophenyl)methyl]-2-methylcyclopentan-1-amine
CID 103041667
2-[(3-bromo-2-methylcyclopentyl)methyl]-1-chloro-3-fluorobenzene
CID 64909046
2-[(3-bromo-4-fluorophenyl)methyl]-4-tert-butylcyclohexan-1-ol
CID 63461071
2-[(3-bromo-4-fluorophenyl)methyl]-N-ethylcycloheptan-1-amine
CID 63403426
2-[(3-bromo-4-fluorophenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 63401105
2-[(3-bromo-4-fluorophenyl)methyl]-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 81013569
4-[(2-bromo-5-ethylcyclohexyl)methyl]-1,2-difluorobenzene
CID 82930424
5-bromo-6-[(3-bromo-4-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 63470876
2-[(3-bromo-2-methylcyclopentyl)methyl]-4-chloro-1-methoxybenzene
CID 64908394
N-[(3-bromo-4-fluorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 28551294
4-[(3-bromo-4-fluorophenyl)methyl]azepane
CID 83262334

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[(3-bromo-2-methylcyclopentyl)methyl]-1-fluorobenzene?
The IUPAC name of 2-bromo-4-[(3-bromo-2-methylcyclopentyl)methyl]-1-fluorobenzene (CID 64907534) is 2-bromo-4-[(3-bromo-2-methylcyclopentyl)methyl]-1-fluorobenzene.
What is the SMILES notation for 2-bromo-4-[(3-bromo-2-methylcyclopentyl)methyl]-1-fluorobenzene?
The canonical SMILES for 2-bromo-4-[(3-bromo-2-methylcyclopentyl)methyl]-1-fluorobenzene is CC1C(Br)CCC1Cc1ccc(F)c(Br)c1.
What is the InChIKey of 2-bromo-4-[(3-bromo-2-methylcyclopentyl)methyl]-1-fluorobenzene?
The InChIKey is AGBMPKQCZJMEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Br2F/c1-8-10(3-4-11(8)14)6-9-2-5-13(16)12(15)7-9/h2,5,7-8,10-11H,3-4,6H2,1H3.
What are the key properties of 2-bromo-4-[(3-bromo-2-methylcyclopentyl)methyl]-1-fluorobenzene?
2-bromo-4-[(3-bromo-2-methylcyclopentyl)methyl]-1-fluorobenzene has a molecular weight of 350.07 g/mol, XLogP of 4.94, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[(3-bromo-2-methylcyclopentyl)methyl]-1-fluorobenzene is sourced from PubChem (CID 64907534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).