4-(4-propylcyclohexyl)-1-(trifluoromethyl)cyclohexene

C16H25F3 — CID 19763109

IUPAC4-(4-propylcyclohexyl)-1-(trifluoromethyl)cyclohexene
SMILESCCCC1CCC(C2CC=C(C(F)(F)F)CC2)CC1
InChIInChI=1S/C16H25F3/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(11-9-14)16(17,18)19/h10,12-14H,2-9,11H2,1H3
InChIKeyGEALFLXOYGILEK-UHFFFAOYSA-N
MW274.37 g/mol
LogP5.88
Rot. Bonds3

About 4-(4-propylcyclohexyl)-1-(trifluoromethyl)cyclohexene

4-(4-propylcyclohexyl)-1-(trifluoromethyl)cyclohexene (PubChem CID 19763109) has the molecular formula C16H25F3 and a molecular weight of 274.37 g/mol. Its IUPAC name is 4-(4-propylcyclohexyl)-1-(trifluoromethyl)cyclohexene.

Molecular Properties

Compound Name4-(4-propylcyclohexyl)-1-(trifluoromethyl)cyclohexene
PubChem CID19763109
Molecular FormulaC16H25F3
Molecular Weight274.37 g/mol
Exact Mass274.19
IUPAC Name4-(4-propylcyclohexyl)-1-(trifluoromethyl)cyclohexene
SMILESCCCC1CCC(C2CC=C(C(F)(F)F)CC2)CC1
InChIInChI=1S/C16H25F3/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(11-9-14)16(17,18)19/h10,12-14H,2-9,11H2,1H3
InChIKeyGEALFLXOYGILEK-UHFFFAOYSA-N
XLogP5.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.37
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-propylcyclohexyl)-1-(trifluoromethyl)cyclohexene?
The IUPAC name of 4-(4-propylcyclohexyl)-1-(trifluoromethyl)cyclohexene (CID 19763109) is 4-(4-propylcyclohexyl)-1-(trifluoromethyl)cyclohexene.
What is the SMILES notation for 4-(4-propylcyclohexyl)-1-(trifluoromethyl)cyclohexene?
The canonical SMILES for 4-(4-propylcyclohexyl)-1-(trifluoromethyl)cyclohexene is CCCC1CCC(C2CC=C(C(F)(F)F)CC2)CC1.
What is the InChIKey of 4-(4-propylcyclohexyl)-1-(trifluoromethyl)cyclohexene?
The InChIKey is GEALFLXOYGILEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F3/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(11-9-14)16(17,18)19/h10,12-14H,2-9,11H2,1H3.
What are the key properties of 4-(4-propylcyclohexyl)-1-(trifluoromethyl)cyclohexene?
4-(4-propylcyclohexyl)-1-(trifluoromethyl)cyclohexene has a molecular weight of 274.37 g/mol, XLogP of 5.88, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propylcyclohexyl)-1-(trifluoromethyl)cyclohexene is sourced from PubChem (CID 19763109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).