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

C14H17BrF2 — CID 63442452

IUPAC1-(1-bromo-2-cyclohexylethyl)-2,4-difluorobenzene
SMILESFc1ccc(C(Br)CC2CCCCC2)c(F)c1
InChIInChI=1S/C14H17BrF2/c15-13(8-10-4-2-1-3-5-10)12-7-6-11(16)9-14(12)17/h6-7,9-10,13H,1-5,8H2
InChIKeyFWMSJOSSRCTATH-UHFFFAOYSA-N
MW303.19 g/mol
LogP5.37
Rot. Bonds3

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

1-(1-bromo-2-cyclohexylethyl)-2,4-difluorobenzene (PubChem CID 63442452) has the molecular formula C14H17BrF2 and a molecular weight of 303.19 g/mol. Its IUPAC name is 1-(1-bromo-2-cyclohexylethyl)-2,4-difluorobenzene.

Molecular Properties

Compound Name1-(1-bromo-2-cyclohexylethyl)-2,4-difluorobenzene
PubChem CID63442452
Molecular FormulaC14H17BrF2
Molecular Weight303.19 g/mol
Exact Mass302.05
IUPAC Name1-(1-bromo-2-cyclohexylethyl)-2,4-difluorobenzene
SMILESFc1ccc(C(Br)CC2CCCCC2)c(F)c1
InChIInChI=1S/C14H17BrF2/c15-13(8-10-4-2-1-3-5-10)12-7-6-11(16)9-14(12)17/h6-7,9-10,13H,1-5,8H2
InChIKeyFWMSJOSSRCTATH-UHFFFAOYSA-N
XLogP5.37
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 ≤ 55.37
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-(2,4-difluorophenyl)ethyl]cycloheptane
CID 114458717
1-(1-bromo-3-cyclohexylpropyl)-2,4-difluorobenzene
CID 63441829
[2-bromo-2-(4-bromo-2,5-difluorophenyl)ethyl]cycloheptane
CID 114458768
1-bromo-4-(1-bromo-2-cyclobutylethyl)-2,5-difluorobenzene
CID 103165898
[2-bromo-2-(2-fluoro-4,5-dimethoxyphenyl)ethyl]cycloheptane
CID 114458761
1-(1-bromo-2-cyclopentylethyl)-2,4-difluoro-5-methylbenzene
CID 79730955
3-cyclohexyl-1-(2,4-difluorophenyl)propan-1-ol
CID 61088667
2-cyclohexyl-2-(2,4-difluorophenyl)ethanamine
CID 80502991
4-(1-bromo-2-cyclopentylethyl)-1,2-difluorobenzene
CID 63439985
1-(2-bromo-3-cyclobutylpropyl)-2,4-difluorobenzene
CID 103166568
[1-(2-bromo-4-fluorophenyl)-2-cyclohexylethyl]hydrazine
CID 105296167
2-cyclopentyl-1-(2,5-difluorophenyl)ethanol
CID 61101489

Frequently Asked Questions

What is the IUPAC name of 1-(1-bromo-2-cyclohexylethyl)-2,4-difluorobenzene?
The IUPAC name of 1-(1-bromo-2-cyclohexylethyl)-2,4-difluorobenzene (CID 63442452) is 1-(1-bromo-2-cyclohexylethyl)-2,4-difluorobenzene.
What is the SMILES notation for 1-(1-bromo-2-cyclohexylethyl)-2,4-difluorobenzene?
The canonical SMILES for 1-(1-bromo-2-cyclohexylethyl)-2,4-difluorobenzene is Fc1ccc(C(Br)CC2CCCCC2)c(F)c1.
What is the InChIKey of 1-(1-bromo-2-cyclohexylethyl)-2,4-difluorobenzene?
The InChIKey is FWMSJOSSRCTATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrF2/c15-13(8-10-4-2-1-3-5-10)12-7-6-11(16)9-14(12)17/h6-7,9-10,13H,1-5,8H2.
What are the key properties of 1-(1-bromo-2-cyclohexylethyl)-2,4-difluorobenzene?
1-(1-bromo-2-cyclohexylethyl)-2,4-difluorobenzene has a molecular weight of 303.19 g/mol, XLogP of 5.37, 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-cyclohexylethyl)-2,4-difluorobenzene is sourced from PubChem (CID 63442452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).