4-(1-bromo-2-cyclopentylethyl)-1,2-difluorobenzene

C13H15BrF2 — CID 63439985

IUPAC4-(1-bromo-2-cyclopentylethyl)-1,2-difluorobenzene
SMILESFc1ccc(C(Br)CC2CCCC2)cc1F
InChIInChI=1S/C13H15BrF2/c14-11(7-9-3-1-2-4-9)10-5-6-12(15)13(16)8-10/h5-6,8-9,11H,1-4,7H2
InChIKeySWFJMRMSDNGNSZ-UHFFFAOYSA-N
MW289.16 g/mol
LogP4.98
Rot. Bonds3

About 4-(1-bromo-2-cyclopentylethyl)-1,2-difluorobenzene

4-(1-bromo-2-cyclopentylethyl)-1,2-difluorobenzene (PubChem CID 63439985) has the molecular formula C13H15BrF2 and a molecular weight of 289.16 g/mol. Its IUPAC name is 4-(1-bromo-2-cyclopentylethyl)-1,2-difluorobenzene.

Molecular Properties

Compound Name4-(1-bromo-2-cyclopentylethyl)-1,2-difluorobenzene
PubChem CID63439985
Molecular FormulaC13H15BrF2
Molecular Weight289.16 g/mol
Exact Mass288.03
IUPAC Name4-(1-bromo-2-cyclopentylethyl)-1,2-difluorobenzene
SMILESFc1ccc(C(Br)CC2CCCC2)cc1F
InChIInChI=1S/C13H15BrF2/c14-11(7-9-3-1-2-4-9)10-5-6-12(15)13(16)8-10/h5-6,8-9,11H,1-4,7H2
InChIKeySWFJMRMSDNGNSZ-UHFFFAOYSA-N
XLogP4.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.16
LogP ≤ 54.98
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-cyclopentyl-2-(3,4-difluorophenyl)propanoic acid
CID 18626637
6-(1-bromo-2-cycloheptylethyl)-1,2,3,4-tetrahydronaphthalene
CID 114458692
1-(1-bromo-2-cyclopropylethyl)-4-chlorobenzene
CID 63437413
[2-bromo-2-(2,4-difluorophenyl)ethyl]cycloheptane
CID 114458717
1-(1-bromo-2-cyclohexylethyl)-2,4-difluorobenzene
CID 63442452
[2-cyclopropyl-1-(3,4-difluorophenyl)ethyl]hydrazine
CID 105196978
2-cyclohexyl-2-(3,4-difluorophenyl)ethanamine
CID 82084320
2-cycloheptyl-2-(3,4-difluorophenyl)ethanamine
CID 83973673
4-(1-bromo-2-cyclopentylethyl)-2-chloro-1-methoxybenzene
CID 63439505
[2-bromo-2-(4-ethylphenyl)ethyl]cycloheptane
CID 114458721
[2-bromo-2-(4-tert-butylphenyl)ethyl]cycloheptane
CID 114458720
N-(cyclohexylmethyl)-1-(3,4-difluorophenyl)ethanamine
CID 43216007

Frequently Asked Questions

What is the IUPAC name of 4-(1-bromo-2-cyclopentylethyl)-1,2-difluorobenzene?
The IUPAC name of 4-(1-bromo-2-cyclopentylethyl)-1,2-difluorobenzene (CID 63439985) is 4-(1-bromo-2-cyclopentylethyl)-1,2-difluorobenzene.
What is the SMILES notation for 4-(1-bromo-2-cyclopentylethyl)-1,2-difluorobenzene?
The canonical SMILES for 4-(1-bromo-2-cyclopentylethyl)-1,2-difluorobenzene is Fc1ccc(C(Br)CC2CCCC2)cc1F.
What is the InChIKey of 4-(1-bromo-2-cyclopentylethyl)-1,2-difluorobenzene?
The InChIKey is SWFJMRMSDNGNSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrF2/c14-11(7-9-3-1-2-4-9)10-5-6-12(15)13(16)8-10/h5-6,8-9,11H,1-4,7H2.
What are the key properties of 4-(1-bromo-2-cyclopentylethyl)-1,2-difluorobenzene?
4-(1-bromo-2-cyclopentylethyl)-1,2-difluorobenzene has a molecular weight of 289.16 g/mol, XLogP of 4.98, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-bromo-2-cyclopentylethyl)-1,2-difluorobenzene is sourced from PubChem (CID 63439985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).