4-[2-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]-2-fluoro-1-methylbenzene

C25H37F — CID 19987944

IUPAC4-[2-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]-2-fluoro-1-methylbenzene
SMILESCCC1CCC(CCC2CC=C(CCc3ccc(C)c(F)c3)CC2)CC1
InChIInChI=1S/C25H37F/c1-3-20-6-8-21(9-7-20)10-11-22-12-14-23(15-13-22)16-17-24-5-4-19(2)25(26)18-24/h4-5,14,18,20-22H,3,6-13,15-17H2,1-2H3
InChIKeyGSPIGORHIPUOTP-UHFFFAOYSA-N
MW356.57 g/mol
LogP7.79
Rot. Bonds7

About 4-[2-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]-2-fluoro-1-methylbenzene

4-[2-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]-2-fluoro-1-methylbenzene (PubChem CID 19987944) has the molecular formula C25H37F and a molecular weight of 356.57 g/mol. Its IUPAC name is 4-[2-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]-2-fluoro-1-methylbenzene.

Molecular Properties

Compound Name4-[2-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]-2-fluoro-1-methylbenzene
PubChem CID19987944
Molecular FormulaC25H37F
Molecular Weight356.57 g/mol
Exact Mass356.29
IUPAC Name4-[2-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]-2-fluoro-1-methylbenzene
SMILESCCC1CCC(CCC2CC=C(CCc3ccc(C)c(F)c3)CC2)CC1
InChIInChI=1S/C25H37F/c1-3-20-6-8-21(9-7-20)10-11-22-12-14-23(15-13-22)16-17-24-5-4-19(2)25(26)18-24/h4-5,14,18,20-22H,3,6-13,15-17H2,1-2H3
InChIKeyGSPIGORHIPUOTP-UHFFFAOYSA-N
XLogP7.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.57
LogP ≤ 57.79
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-butyl-4-[2-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]-2-fluorobenzene
CID 19987957
1-[2-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]-4-propylbenzene
CID 19988035
4-[2-[4-[2-(4-butylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]-2-fluoro-1-hexylbenzene
CID 19987960
2-fluoro-4-[2-[4-(4-hexylcyclohexyl)cyclohexen-1-yl]ethyl]-1-methylbenzene
CID 18647719
1-ethyl-2-fluoro-4-[2-[4-[2-(4-hexylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]benzene
CID 19988134
4-[2-(4-decylcyclohexen-1-yl)ethyl]-1,2-difluorobenzene
CID 67831361
1-[2-[4-[2-(4-decylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]-4-fluorobenzene
CID 19988202
2-fluoro-4-[2-(4-nonylcyclohexen-1-yl)ethyl]benzonitrile
CID 19987994
1-butyl-4-[2-[4-(4-ethylcyclohexyl)cyclohexen-1-yl]ethyl]-2-fluorobenzene
CID 19988165
1-[2-(4-decylcyclohexen-1-yl)ethyl]-4-fluorobenzene
CID 19987921
1-[2-[4-[2-(4-butylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]-4-hexoxybenzene
CID 19987993
2-fluoro-1-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene
CID 160603486

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]-2-fluoro-1-methylbenzene?
The IUPAC name of 4-[2-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]-2-fluoro-1-methylbenzene (CID 19987944) is 4-[2-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]-2-fluoro-1-methylbenzene.
What is the SMILES notation for 4-[2-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]-2-fluoro-1-methylbenzene?
The canonical SMILES for 4-[2-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]-2-fluoro-1-methylbenzene is CCC1CCC(CCC2CC=C(CCc3ccc(C)c(F)c3)CC2)CC1.
What is the InChIKey of 4-[2-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]-2-fluoro-1-methylbenzene?
The InChIKey is GSPIGORHIPUOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37F/c1-3-20-6-8-21(9-7-20)10-11-22-12-14-23(15-13-22)16-17-24-5-4-19(2)25(26)18-24/h4-5,14,18,20-22H,3,6-13,15-17H2,1-2H3.
What are the key properties of 4-[2-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]-2-fluoro-1-methylbenzene?
4-[2-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]-2-fluoro-1-methylbenzene has a molecular weight of 356.57 g/mol, XLogP of 7.79, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]-2-fluoro-1-methylbenzene is sourced from PubChem (CID 19987944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).