1-bromo-4-(2-fluorocyclopentyl)benzene

C11H12BrF — CID 115044900

IUPAC1-bromo-4-(2-fluorocyclopentyl)benzene
SMILESFC1CCCC1c1ccc(Br)cc1
InChIInChI=1S/C11H12BrF/c12-9-6-4-8(5-7-9)10-2-1-3-11(10)13/h4-7,10-11H,1-3H2
InChIKeyBQPBPHNWYSHFHA-UHFFFAOYSA-N
MW243.12 g/mol
LogP4.05
Rot. Bonds1

About 1-bromo-4-(2-fluorocyclopentyl)benzene

1-bromo-4-(2-fluorocyclopentyl)benzene (PubChem CID 115044900) has the molecular formula C11H12BrF and a molecular weight of 243.12 g/mol. Its IUPAC name is 1-bromo-4-(2-fluorocyclopentyl)benzene.

Molecular Properties

Compound Name1-bromo-4-(2-fluorocyclopentyl)benzene
PubChem CID115044900
Molecular FormulaC11H12BrF
Molecular Weight243.12 g/mol
Exact Mass242.01
IUPAC Name1-bromo-4-(2-fluorocyclopentyl)benzene
SMILESFC1CCCC1c1ccc(Br)cc1
InChIInChI=1S/C11H12BrF/c12-9-6-4-8(5-7-9)10-2-1-3-11(10)13/h4-7,10-11H,1-3H2
InChIKeyBQPBPHNWYSHFHA-UHFFFAOYSA-N
XLogP4.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.12
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 142068486
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2-(4-bromophenyl)cyclobutan-1-ol
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trans-(1R,2R)-2-(4-bromophenyl)cyclohexane-1-carboxylic acid
CID 71385887
2-(4-bromophenyl)cyclopropan-1-amine
CID 21190524
2-[2-(4-bromophenyl)cyclohexyl]acetic acid
CID 82251834
4-bromo-N-(2-phenylcyclohexyl)aniline
CID 43762754
[3-(2-fluorocyclopentyl)phenyl]methanamine
CID 115019498
(2-fluorocyclopentyl) 4-bromobenzenesulfinate
CID 68784255
N-[2-(4-bromophenyl)cyclohexyl]-4-methoxyaniline
CID 135074114
4-(4-bromophenyl)cycloheptan-1-amine
CID 115049929

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(2-fluorocyclopentyl)benzene?
The IUPAC name of 1-bromo-4-(2-fluorocyclopentyl)benzene (CID 115044900) is 1-bromo-4-(2-fluorocyclopentyl)benzene.
What is the SMILES notation for 1-bromo-4-(2-fluorocyclopentyl)benzene?
The canonical SMILES for 1-bromo-4-(2-fluorocyclopentyl)benzene is FC1CCCC1c1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-(2-fluorocyclopentyl)benzene?
The InChIKey is BQPBPHNWYSHFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrF/c12-9-6-4-8(5-7-9)10-2-1-3-11(10)13/h4-7,10-11H,1-3H2.
What are the key properties of 1-bromo-4-(2-fluorocyclopentyl)benzene?
1-bromo-4-(2-fluorocyclopentyl)benzene has a molecular weight of 243.12 g/mol, XLogP of 4.05, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(2-fluorocyclopentyl)benzene is sourced from PubChem (CID 115044900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).