4-bromo-2-(cyclopenten-1-ylmethyl)-1-fluorobenzene

C12H12BrF — CID 130943744

IUPAC4-bromo-2-(cyclopenten-1-ylmethyl)-1-fluorobenzene
SMILESFc1ccc(Br)cc1CC1=CCCC1
InChIInChI=1S/C12H12BrF/c13-11-5-6-12(14)10(8-11)7-9-3-1-2-4-9/h3,5-6,8H,1-2,4,7H2
InChIKeyMSSBXFZGEBAIHZ-UHFFFAOYSA-N
MW255.13 g/mol
LogP4.24
Rot. Bonds2

About 4-bromo-2-(cyclopenten-1-ylmethyl)-1-fluorobenzene

4-bromo-2-(cyclopenten-1-ylmethyl)-1-fluorobenzene (PubChem CID 130943744) has the molecular formula C12H12BrF and a molecular weight of 255.13 g/mol. Its IUPAC name is 4-bromo-2-(cyclopenten-1-ylmethyl)-1-fluorobenzene.

Molecular Properties

Compound Name4-bromo-2-(cyclopenten-1-ylmethyl)-1-fluorobenzene
PubChem CID130943744
Molecular FormulaC12H12BrF
Molecular Weight255.13 g/mol
Exact Mass254.01
IUPAC Name4-bromo-2-(cyclopenten-1-ylmethyl)-1-fluorobenzene
SMILESFc1ccc(Br)cc1CC1=CCCC1
InChIInChI=1S/C12H12BrF/c13-11-5-6-12(14)10(8-11)7-9-3-1-2-4-9/h3,5-6,8H,1-2,4,7H2
InChIKeyMSSBXFZGEBAIHZ-UHFFFAOYSA-N
XLogP4.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.13
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 139256775
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4-bromo-2-[(3-chloro-5,5-dimethylcyclohexen-1-yl)methyl]-1-fluorobenzene
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1-(5-chloro-2-fluorophenyl)-3-(cyclohexen-1-yl)-N-methylpropan-2-amine
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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(cyclopenten-1-ylmethyl)-1-fluorobenzene?
The IUPAC name of 4-bromo-2-(cyclopenten-1-ylmethyl)-1-fluorobenzene (CID 130943744) is 4-bromo-2-(cyclopenten-1-ylmethyl)-1-fluorobenzene.
What is the SMILES notation for 4-bromo-2-(cyclopenten-1-ylmethyl)-1-fluorobenzene?
The canonical SMILES for 4-bromo-2-(cyclopenten-1-ylmethyl)-1-fluorobenzene is Fc1ccc(Br)cc1CC1=CCCC1.
What is the InChIKey of 4-bromo-2-(cyclopenten-1-ylmethyl)-1-fluorobenzene?
The InChIKey is MSSBXFZGEBAIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrF/c13-11-5-6-12(14)10(8-11)7-9-3-1-2-4-9/h3,5-6,8H,1-2,4,7H2.
What are the key properties of 4-bromo-2-(cyclopenten-1-ylmethyl)-1-fluorobenzene?
4-bromo-2-(cyclopenten-1-ylmethyl)-1-fluorobenzene has a molecular weight of 255.13 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(cyclopenten-1-ylmethyl)-1-fluorobenzene is sourced from PubChem (CID 130943744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).