2-bromo-4-(1-chloro-2-cyclopentylethyl)-1-fluorobenzene

C13H15BrClF — CID 79742311

IUPAC2-bromo-4-(1-chloro-2-cyclopentylethyl)-1-fluorobenzene
SMILESFc1ccc(C(Cl)CC2CCCC2)cc1Br
InChIInChI=1S/C13H15BrClF/c14-11-8-10(5-6-13(11)16)12(15)7-9-3-1-2-4-9/h5-6,8-9,12H,1-4,7H2
InChIKeyALXGTXSMSQVPAH-UHFFFAOYSA-N
MW305.62 g/mol
LogP5.45
Rot. Bonds3

About 2-bromo-4-(1-chloro-2-cyclopentylethyl)-1-fluorobenzene

2-bromo-4-(1-chloro-2-cyclopentylethyl)-1-fluorobenzene (PubChem CID 79742311) has the molecular formula C13H15BrClF and a molecular weight of 305.62 g/mol. Its IUPAC name is 2-bromo-4-(1-chloro-2-cyclopentylethyl)-1-fluorobenzene.

Molecular Properties

Compound Name2-bromo-4-(1-chloro-2-cyclopentylethyl)-1-fluorobenzene
PubChem CID79742311
Molecular FormulaC13H15BrClF
Molecular Weight305.62 g/mol
Exact Mass304.00
IUPAC Name2-bromo-4-(1-chloro-2-cyclopentylethyl)-1-fluorobenzene
SMILESFc1ccc(C(Cl)CC2CCCC2)cc1Br
InChIInChI=1S/C13H15BrClF/c14-11-8-10(5-6-13(11)16)12(15)7-9-3-1-2-4-9/h5-6,8-9,12H,1-4,7H2
InChIKeyALXGTXSMSQVPAH-UHFFFAOYSA-N
XLogP5.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.62
LogP ≤ 55.45
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-bromo-4-fluorophenyl)-2-cycloheptylethanamine
CID 114457720
1-(3-bromo-4-fluorophenyl)-2-cyclobutylethanol
CID 82809898
2-bromo-4-(1-chloro-2-cyclopentylethyl)-1-propoxybenzene
CID 104661944
1-bromo-4-(1-chloro-2-cyclobutylethyl)benzene
CID 103165570
[(3-bromo-4-fluorophenyl)-cyclopentylmethyl]hydrazine
CID 105264024
1-(3-bromo-4-fluorophenyl)-N-(cyclohexylmethyl)ethanamine
CID 43775644
1-(3-bromo-4-fluorophenyl)-N-(cyclopentylmethyl)-N-methylethane-1,2-diamine
CID 55250020
2-bromo-4-(dichloromethyl)-1-fluorobenzene
CID 70539346
4-(1-bromo-2-cyclopentylethyl)-1,2-difluorobenzene
CID 63439985
(R)-(3-bromo-4-fluorophenyl)-cyclobutylmethanamine
CID 130054470
3-bromo-2-(1-chloro-2-cyclopentylethyl)thiophene
CID 80536031
5-(1-chloro-2-cyclopentylethyl)-1,3-dihydro-2-benzofuran
CID 63019567

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(1-chloro-2-cyclopentylethyl)-1-fluorobenzene?
The IUPAC name of 2-bromo-4-(1-chloro-2-cyclopentylethyl)-1-fluorobenzene (CID 79742311) is 2-bromo-4-(1-chloro-2-cyclopentylethyl)-1-fluorobenzene.
What is the SMILES notation for 2-bromo-4-(1-chloro-2-cyclopentylethyl)-1-fluorobenzene?
The canonical SMILES for 2-bromo-4-(1-chloro-2-cyclopentylethyl)-1-fluorobenzene is Fc1ccc(C(Cl)CC2CCCC2)cc1Br.
What is the InChIKey of 2-bromo-4-(1-chloro-2-cyclopentylethyl)-1-fluorobenzene?
The InChIKey is ALXGTXSMSQVPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrClF/c14-11-8-10(5-6-13(11)16)12(15)7-9-3-1-2-4-9/h5-6,8-9,12H,1-4,7H2.
What are the key properties of 2-bromo-4-(1-chloro-2-cyclopentylethyl)-1-fluorobenzene?
2-bromo-4-(1-chloro-2-cyclopentylethyl)-1-fluorobenzene has a molecular weight of 305.62 g/mol, XLogP of 5.45, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(1-chloro-2-cyclopentylethyl)-1-fluorobenzene is sourced from PubChem (CID 79742311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).