4-(1-cyclohexylethyl)cyclohexene;4-(1-cyclohexylethyl)-1-fluorocyclohexene;2-[2-cyclohexyl-2-(4-fluorocyclohexyl)ethyl]piperidine;cyclohexyl-(4-fluorocyclohexyl)methanol

C60H104F3NO — CID 162078675

IUPAC4-(1-cyclohexylethyl)cyclohexene;4-(1-cyclohexylethyl)-1-fluorocyclohexene;2-[2-cyclohexyl-2-(4-fluorocyclohexyl)ethyl]piperidine;cyclohexyl-(4-fluorocyclohexyl)methanol
SMILESCC(C1CC=C(F)CC1)C1CCCCC1.CC(C1CC=CCC1)C1CCCCC1.FC1CCC(C(CC2CCCCN2)C2CCCCC2)CC1.OC(C1CCCCC1)C1CCC(F)CC1
InChIInChI=1S/C19H34FN.C14H23F.C14H24.C13H23FO/c20-17-11-9-16(10-12-17)19(15-6-2-1-3-7-15)14-18-8-4-5-13-21-18;1-11(12-5-3-2-4-6-12)13-7-9-14(15)10-8-13;1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14;14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h15-19,21H,1-14H2;9,11-13H,2-8,10H2,1H3;2,4,12-14H,3,5-11H2,1H3;10-13,15H,1-9H2
InChIKeyZCAVRMSTEISXIN-UHFFFAOYSA-N
MW912.49 g/mol
LogP18.11
Rot. Bonds10

About 4-(1-cyclohexylethyl)cyclohexene;4-(1-cyclohexylethyl)-1-fluorocyclohexene;2-[2-cyclohexyl-2-(4-fluorocyclohexyl)ethyl]piperidine;cyclohexyl-(4-fluorocyclohexyl)methanol

4-(1-cyclohexylethyl)cyclohexene;4-(1-cyclohexylethyl)-1-fluorocyclohexene;2-[2-cyclohexyl-2-(4-fluorocyclohexyl)ethyl]piperidine;cyclohexyl-(4-fluorocyclohexyl)methanol (PubChem CID 162078675) has the molecular formula C60H104F3NO and a molecular weight of 912.49 g/mol. Its IUPAC name is 4-(1-cyclohexylethyl)cyclohexene;4-(1-cyclohexylethyl)-1-fluorocyclohexene;2-[2-cyclohexyl-2-(4-fluorocyclohexyl)ethyl]piperidine;cyclohexyl-(4-fluorocyclohexyl)methanol.

Molecular Properties

Compound Name4-(1-cyclohexylethyl)cyclohexene;4-(1-cyclohexylethyl)-1-fluorocyclohexene;2-[2-cyclohexyl-2-(4-fluorocyclohexyl)ethyl]piperidine;cyclohexyl-(4-fluorocyclohexyl)methanol
PubChem CID162078675
Molecular FormulaC60H104F3NO
Molecular Weight912.49 g/mol
Exact Mass911.81
IUPAC Name4-(1-cyclohexylethyl)cyclohexene;4-(1-cyclohexylethyl)-1-fluorocyclohexene;2-[2-cyclohexyl-2-(4-fluorocyclohexyl)ethyl]piperidine;cyclohexyl-(4-fluorocyclohexyl)methanol
SMILESCC(C1CC=C(F)CC1)C1CCCCC1.CC(C1CC=CCC1)C1CCCCC1.FC1CCC(C(CC2CCCCN2)C2CCCCC2)CC1.OC(C1CCCCC1)C1CCC(F)CC1
InChIInChI=1S/C19H34FN.C14H23F.C14H24.C13H23FO/c20-17-11-9-16(10-12-17)19(15-6-2-1-3-7-15)14-18-8-4-5-13-21-18;1-11(12-5-3-2-4-6-12)13-7-9-14(15)10-8-13;1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14;14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h15-19,21H,1-14H2;9,11-13H,2-8,10H2,1H3;2,4,12-14H,3,5-11H2,1H3;10-13,15H,1-9H2
InChIKeyZCAVRMSTEISXIN-UHFFFAOYSA-N
XLogP18.11
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500912.49
LogP ≤ 518.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-(1-cyclohexylethyl)cyclohexene;4-(1-cyclohexylethyl)-1-fluorocyclohexene;2-[2-cyclohexyl-2-(4-fluorocyclohexyl)ethyl]piperidine;cyclohexyl-(4-fluorocyclohexyl)methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclohexylethyl)cyclohexene;4-(1-cyclohexylethyl)-1-fluorocyclohexene;2-[2-cyclohexyl-2-(4-fluorocyclohexyl)ethyl]piperidine;cyclohexyl-(4-fluorocyclohexyl)methanol?
The IUPAC name of 4-(1-cyclohexylethyl)cyclohexene;4-(1-cyclohexylethyl)-1-fluorocyclohexene;2-[2-cyclohexyl-2-(4-fluorocyclohexyl)ethyl]piperidine;cyclohexyl-(4-fluorocyclohexyl)methanol (CID 162078675) is 4-(1-cyclohexylethyl)cyclohexene;4-(1-cyclohexylethyl)-1-fluorocyclohexene;2-[2-cyclohexyl-2-(4-fluorocyclohexyl)ethyl]piperidine;cyclohexyl-(4-fluorocyclohexyl)methanol.
What is the SMILES notation for 4-(1-cyclohexylethyl)cyclohexene;4-(1-cyclohexylethyl)-1-fluorocyclohexene;2-[2-cyclohexyl-2-(4-fluorocyclohexyl)ethyl]piperidine;cyclohexyl-(4-fluorocyclohexyl)methanol?
The canonical SMILES for 4-(1-cyclohexylethyl)cyclohexene;4-(1-cyclohexylethyl)-1-fluorocyclohexene;2-[2-cyclohexyl-2-(4-fluorocyclohexyl)ethyl]piperidine;cyclohexyl-(4-fluorocyclohexyl)methanol is CC(C1CC=C(F)CC1)C1CCCCC1.CC(C1CC=CCC1)C1CCCCC1.FC1CCC(C(CC2CCCCN2)C2CCCCC2)CC1.OC(C1CCCCC1)C1CCC(F)CC1.
What is the InChIKey of 4-(1-cyclohexylethyl)cyclohexene;4-(1-cyclohexylethyl)-1-fluorocyclohexene;2-[2-cyclohexyl-2-(4-fluorocyclohexyl)ethyl]piperidine;cyclohexyl-(4-fluorocyclohexyl)methanol?
The InChIKey is ZCAVRMSTEISXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34FN.C14H23F.C14H24.C13H23FO/c20-17-11-9-16(10-12-17)19(15-6-2-1-3-7-15)14-18-8-4-5-13-21-18;1-11(12-5-3-2-4-6-12)13-7-9-14(15)10-8-13;1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14;14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h15-19,21H,1-14H2;9,11-13H,2-8,10H2,1H3;2,4,12-14H,3,5-11H2,1H3;10-13,15H,1-9H2.
What are the key properties of 4-(1-cyclohexylethyl)cyclohexene;4-(1-cyclohexylethyl)-1-fluorocyclohexene;2-[2-cyclohexyl-2-(4-fluorocyclohexyl)ethyl]piperidine;cyclohexyl-(4-fluorocyclohexyl)methanol?
4-(1-cyclohexylethyl)cyclohexene;4-(1-cyclohexylethyl)-1-fluorocyclohexene;2-[2-cyclohexyl-2-(4-fluorocyclohexyl)ethyl]piperidine;cyclohexyl-(4-fluorocyclohexyl)methanol has a molecular weight of 912.49 g/mol, XLogP of 18.11, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclohexylethyl)cyclohexene;4-(1-cyclohexylethyl)-1-fluorocyclohexene;2-[2-cyclohexyl-2-(4-fluorocyclohexyl)ethyl]piperidine;cyclohexyl-(4-fluorocyclohexyl)methanol is sourced from PubChem (CID 162078675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).