1-fluoro-3-[2-(4-prop-2-enylcyclohexyl)ethyl]benzene

C17H23F — CID 70178862

IUPAC1-fluoro-3-[2-(4-prop-2-enylcyclohexyl)ethyl]benzene
SMILESC=CCC1CCC(CCc2cccc(F)c2)CC1
InChIInChI=1S/C17H23F/c1-2-4-14-7-9-15(10-8-14)11-12-16-5-3-6-17(18)13-16/h2-3,5-6,13-15H,1,4,7-12H2
InChIKeyVJMBHZZEPUXFHS-UHFFFAOYSA-N
MW246.37 g/mol
LogP5.14
Rot. Bonds5

About 1-fluoro-3-[2-(4-prop-2-enylcyclohexyl)ethyl]benzene

1-fluoro-3-[2-(4-prop-2-enylcyclohexyl)ethyl]benzene (PubChem CID 70178862) has the molecular formula C17H23F and a molecular weight of 246.37 g/mol. Its IUPAC name is 1-fluoro-3-[2-(4-prop-2-enylcyclohexyl)ethyl]benzene.

Molecular Properties

Compound Name1-fluoro-3-[2-(4-prop-2-enylcyclohexyl)ethyl]benzene
PubChem CID70178862
Molecular FormulaC17H23F
Molecular Weight246.37 g/mol
Exact Mass246.18
IUPAC Name1-fluoro-3-[2-(4-prop-2-enylcyclohexyl)ethyl]benzene
SMILESC=CCC1CCC(CCc2cccc(F)c2)CC1
InChIInChI=1S/C17H23F/c1-2-4-14-7-9-15(10-8-14)11-12-16-5-3-6-17(18)13-16/h2-3,5-6,13-15H,1,4,7-12H2
InChIKeyVJMBHZZEPUXFHS-UHFFFAOYSA-N
XLogP5.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.37
LogP ≤ 55.14
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

1-(3-cyclopentylpropyl)-3-fluorobenzene
CID 118922459
1-fluoro-3-[4-(4-methylcyclohexyl)butyl]benzene
CID 54167085
2,6-difluoro-4-[2-[4-[2-(4-prop-2-enylcyclohexyl)ethyl]cyclohexyl]ethyl]benzonitrile
CID 139901549
2-fluoro-3-[2-(4-prop-2-enylcyclohexyl)ethyl]benzonitrile
CID 70178855
1-fluoro-3-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]benzene
CID 18720800
2-(4-pent-4-enylcyclohexyl)ethylbenzene
CID 56624486
1-fluoro-6-[2-(4-prop-2-enylcyclohexyl)ethyl]-2-[2-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]naphthalene
CID 139872559
4-[2-[1-fluoro-6-[2-(4-prop-2-enylcyclohexyl)ethyl]naphthalen-2-yl]ethyl]benzonitrile
CID 139874581
1,3-difluoro-2-(3-fluorophenyl)-5-[2-(4-propylcyclohexyl)ethyl]benzene
CID 139711046
N-(3-cyclopropylpropyl)-1-(3-fluorophenyl)propan-2-amine
CID 115890781
6-[2-[2,6-difluoro-4-[2-(4-prop-2-enylcyclohexyl)ethyl]phenyl]ethynyl]-1,2-difluoronaphthalene
CID 139859598
[4-[(3-fluorophenyl)methyl]cyclohexyl]methanamine
CID 90782527

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-[2-(4-prop-2-enylcyclohexyl)ethyl]benzene?
The IUPAC name of 1-fluoro-3-[2-(4-prop-2-enylcyclohexyl)ethyl]benzene (CID 70178862) is 1-fluoro-3-[2-(4-prop-2-enylcyclohexyl)ethyl]benzene.
What is the SMILES notation for 1-fluoro-3-[2-(4-prop-2-enylcyclohexyl)ethyl]benzene?
The canonical SMILES for 1-fluoro-3-[2-(4-prop-2-enylcyclohexyl)ethyl]benzene is C=CCC1CCC(CCc2cccc(F)c2)CC1.
What is the InChIKey of 1-fluoro-3-[2-(4-prop-2-enylcyclohexyl)ethyl]benzene?
The InChIKey is VJMBHZZEPUXFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F/c1-2-4-14-7-9-15(10-8-14)11-12-16-5-3-6-17(18)13-16/h2-3,5-6,13-15H,1,4,7-12H2.
What are the key properties of 1-fluoro-3-[2-(4-prop-2-enylcyclohexyl)ethyl]benzene?
1-fluoro-3-[2-(4-prop-2-enylcyclohexyl)ethyl]benzene has a molecular weight of 246.37 g/mol, XLogP of 5.14, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-[2-(4-prop-2-enylcyclohexyl)ethyl]benzene is sourced from PubChem (CID 70178862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).