1-(1-bromo-2-cyclopentylethyl)-2,4-difluoro-5-methylbenzene

C14H17BrF2 — CID 79730955

IUPAC1-(1-bromo-2-cyclopentylethyl)-2,4-difluoro-5-methylbenzene
SMILESCc1cc(C(Br)CC2CCCC2)c(F)cc1F
InChIInChI=1S/C14H17BrF2/c1-9-6-11(14(17)8-13(9)16)12(15)7-10-4-2-3-5-10/h6,8,10,12H,2-5,7H2,1H3
InChIKeyRVQHUOOVEXKEMZ-UHFFFAOYSA-N
MW303.19 g/mol
LogP5.29
Rot. Bonds3

About 1-(1-bromo-2-cyclopentylethyl)-2,4-difluoro-5-methylbenzene

1-(1-bromo-2-cyclopentylethyl)-2,4-difluoro-5-methylbenzene (PubChem CID 79730955) has the molecular formula C14H17BrF2 and a molecular weight of 303.19 g/mol. Its IUPAC name is 1-(1-bromo-2-cyclopentylethyl)-2,4-difluoro-5-methylbenzene.

Molecular Properties

Compound Name1-(1-bromo-2-cyclopentylethyl)-2,4-difluoro-5-methylbenzene
PubChem CID79730955
Molecular FormulaC14H17BrF2
Molecular Weight303.19 g/mol
Exact Mass302.05
IUPAC Name1-(1-bromo-2-cyclopentylethyl)-2,4-difluoro-5-methylbenzene
SMILESCc1cc(C(Br)CC2CCCC2)c(F)cc1F
InChIInChI=1S/C14H17BrF2/c1-9-6-11(14(17)8-13(9)16)12(15)7-10-4-2-3-5-10/h6,8,10,12H,2-5,7H2,1H3
InChIKeyRVQHUOOVEXKEMZ-UHFFFAOYSA-N
XLogP5.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.19
LogP ≤ 55.29
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

[2-bromo-2-(2-fluoro-4,5-dimethoxyphenyl)ethyl]cycloheptane
CID 114458761
[2-bromo-2-(4-bromo-2,5-difluorophenyl)ethyl]cycloheptane
CID 114458768
N-[2-cyclohexyl-1-(2,4-difluoro-5-methylphenyl)ethyl]propan-2-amine
CID 79726318
1-(1-bromo-2-cyclohexylethyl)-2,4-difluorobenzene
CID 63442452
1-bromo-4-(1-bromo-2-cyclobutylethyl)-2,5-difluorobenzene
CID 103165898
[2-bromo-2-(2,4-difluorophenyl)ethyl]cycloheptane
CID 114458717
N-[2-cyclobutyl-1-(2,4-difluoro-5-methylphenyl)ethyl]propan-2-amine
CID 103163213
2-[3-bromo-3-(2,4-difluoro-5-methylphenyl)propyl]oxane
CID 79731373
1-bromo-4-(1-bromo-2-cyclobutylethyl)-2,5-dimethylbenzene
CID 103165895
1-bromo-4-(1-bromo-2-cyclobutylethyl)-2-chloro-5-fluorobenzene
CID 103166063
3-cyclopentyl-1-(2,4-difluoro-5-methylphenyl)propan-1-ol
CID 79730321
1-(1-chloro-3-cyclohexylpropyl)-2,4-difluoro-5-methylbenzene
CID 79730355

Frequently Asked Questions

What is the IUPAC name of 1-(1-bromo-2-cyclopentylethyl)-2,4-difluoro-5-methylbenzene?
The IUPAC name of 1-(1-bromo-2-cyclopentylethyl)-2,4-difluoro-5-methylbenzene (CID 79730955) is 1-(1-bromo-2-cyclopentylethyl)-2,4-difluoro-5-methylbenzene.
What is the SMILES notation for 1-(1-bromo-2-cyclopentylethyl)-2,4-difluoro-5-methylbenzene?
The canonical SMILES for 1-(1-bromo-2-cyclopentylethyl)-2,4-difluoro-5-methylbenzene is Cc1cc(C(Br)CC2CCCC2)c(F)cc1F.
What is the InChIKey of 1-(1-bromo-2-cyclopentylethyl)-2,4-difluoro-5-methylbenzene?
The InChIKey is RVQHUOOVEXKEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrF2/c1-9-6-11(14(17)8-13(9)16)12(15)7-10-4-2-3-5-10/h6,8,10,12H,2-5,7H2,1H3.
What are the key properties of 1-(1-bromo-2-cyclopentylethyl)-2,4-difluoro-5-methylbenzene?
1-(1-bromo-2-cyclopentylethyl)-2,4-difluoro-5-methylbenzene has a molecular weight of 303.19 g/mol, XLogP of 5.29, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bromo-2-cyclopentylethyl)-2,4-difluoro-5-methylbenzene is sourced from PubChem (CID 79730955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).