1-(4-ethenylcyclohexyl)-2-fluoro-4-propylbenzene

C17H23F — CID 71422815

IUPAC1-(4-ethenylcyclohexyl)-2-fluoro-4-propylbenzene
SMILESC=CC1CCC(c2ccc(CCC)cc2F)CC1
InChIInChI=1S/C17H23F/c1-3-5-14-8-11-16(17(18)12-14)15-9-6-13(4-2)7-10-15/h4,8,11-13,15H,2-3,5-7,9-10H2,1H3
InChIKeyODAMVSRNOWVZRB-UHFFFAOYSA-N
MW246.37 g/mol
LogP5.24
Rot. Bonds4

About 1-(4-ethenylcyclohexyl)-2-fluoro-4-propylbenzene

1-(4-ethenylcyclohexyl)-2-fluoro-4-propylbenzene (PubChem CID 71422815) has the molecular formula C17H23F and a molecular weight of 246.37 g/mol. Its IUPAC name is 1-(4-ethenylcyclohexyl)-2-fluoro-4-propylbenzene.

Molecular Properties

Compound Name1-(4-ethenylcyclohexyl)-2-fluoro-4-propylbenzene
PubChem CID71422815
Molecular FormulaC17H23F
Molecular Weight246.37 g/mol
Exact Mass246.18
IUPAC Name1-(4-ethenylcyclohexyl)-2-fluoro-4-propylbenzene
SMILESC=CC1CCC(c2ccc(CCC)cc2F)CC1
InChIInChI=1S/C17H23F/c1-3-5-14-8-11-16(17(18)12-14)15-9-6-13(4-2)7-10-15/h4,8,11-13,15H,2-3,5-7,9-10H2,1H3
InChIKeyODAMVSRNOWVZRB-UHFFFAOYSA-N
XLogP5.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.37
LogP ≤ 55.24
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

4-(2-fluoro-4-propylphenyl)oxane
CID 153081672
4-[4-(4-ethenylcyclohexyl)cyclohexyl]-2-fluoro-1-[4-(3-fluoro-4-propylphenyl)cyclohexyl]benzene
CID 88993492
2-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-1-fluoro-6-propylnaphthalene
CID 139862821
2-fluoro-1-[4-[4-(2-fluoroethyl)cyclohexyl]cyclohexyl]-4-propylbenzene
CID 18344256
1-butyl-2,3-difluoro-4-[4-(2-fluoro-4-propylphenyl)cyclohexyl]benzene
CID 58140601
1-(4-ethylcyclohexyl)-2,3-difluoro-4-[2-[4-(2-fluoro-4-propylphenyl)cyclohexyl]ethenyl]benzene
CID 77470247
2-[2-[4-(4-ethenylcyclohexyl)phenyl]ethyl]-6-propylnaphthalene
CID 139861082
2-[2,3-difluoro-4-(2-fluoro-4-propylphenyl)phenyl]-5-ethenyloxane
CID 126765062
1-(4-ethylphenyl)-2,3-difluoro-4-[2-[4-(2-fluoro-4-propylphenyl)cyclohexyl]ethenyl]benzene
CID 77470319
1-[4-[4-[2-(3,4-difluorophenyl)-1,1-difluoroethyl]cyclohexyl]cyclohexyl]-2-fluoro-4-propylbenzene
CID 18344050
1-(4-butylcyclohexyl)-2-fluoro-4-[2-(4-propylcyclohexyl)ethyl]benzene
CID 151687811
4-(4-but-3-enylphenyl)-1-(4-ethylcyclohexyl)-2-fluorobenzene
CID 139749384

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethenylcyclohexyl)-2-fluoro-4-propylbenzene?
The IUPAC name of 1-(4-ethenylcyclohexyl)-2-fluoro-4-propylbenzene (CID 71422815) is 1-(4-ethenylcyclohexyl)-2-fluoro-4-propylbenzene.
What is the SMILES notation for 1-(4-ethenylcyclohexyl)-2-fluoro-4-propylbenzene?
The canonical SMILES for 1-(4-ethenylcyclohexyl)-2-fluoro-4-propylbenzene is C=CC1CCC(c2ccc(CCC)cc2F)CC1.
What is the InChIKey of 1-(4-ethenylcyclohexyl)-2-fluoro-4-propylbenzene?
The InChIKey is ODAMVSRNOWVZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F/c1-3-5-14-8-11-16(17(18)12-14)15-9-6-13(4-2)7-10-15/h4,8,11-13,15H,2-3,5-7,9-10H2,1H3.
What are the key properties of 1-(4-ethenylcyclohexyl)-2-fluoro-4-propylbenzene?
1-(4-ethenylcyclohexyl)-2-fluoro-4-propylbenzene has a molecular weight of 246.37 g/mol, XLogP of 5.24, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethenylcyclohexyl)-2-fluoro-4-propylbenzene is sourced from PubChem (CID 71422815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).