1-cyclohexyl-4-(1,2,2-trifluoroethenyl)cyclohexane

C14H21F3 — CID 70288870

IUPAC1-cyclohexyl-4-(1,2,2-trifluoroethenyl)cyclohexane
SMILESFC(F)=C(F)C1CCC(C2CCCCC2)CC1
InChIInChI=1S/C14H21F3/c15-13(14(16)17)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h10-12H,1-9H2
InChIKeyKEVKYJBWQVCOPI-UHFFFAOYSA-N
MW246.32 g/mol
LogP5.45
Rot. Bonds2

About 1-cyclohexyl-4-(1,2,2-trifluoroethenyl)cyclohexane

1-cyclohexyl-4-(1,2,2-trifluoroethenyl)cyclohexane (PubChem CID 70288870) has the molecular formula C14H21F3 and a molecular weight of 246.32 g/mol. Its IUPAC name is 1-cyclohexyl-4-(1,2,2-trifluoroethenyl)cyclohexane.

Molecular Properties

Compound Name1-cyclohexyl-4-(1,2,2-trifluoroethenyl)cyclohexane
PubChem CID70288870
Molecular FormulaC14H21F3
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC Name1-cyclohexyl-4-(1,2,2-trifluoroethenyl)cyclohexane
SMILESFC(F)=C(F)C1CCC(C2CCCCC2)CC1
InChIInChI=1S/C14H21F3/c15-13(14(16)17)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h10-12H,1-9H2
InChIKeyKEVKYJBWQVCOPI-UHFFFAOYSA-N
XLogP5.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.32
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-(1,2,2-trifluoroethenyl)cyclohexane?
The IUPAC name of 1-cyclohexyl-4-(1,2,2-trifluoroethenyl)cyclohexane (CID 70288870) is 1-cyclohexyl-4-(1,2,2-trifluoroethenyl)cyclohexane.
What is the SMILES notation for 1-cyclohexyl-4-(1,2,2-trifluoroethenyl)cyclohexane?
The canonical SMILES for 1-cyclohexyl-4-(1,2,2-trifluoroethenyl)cyclohexane is FC(F)=C(F)C1CCC(C2CCCCC2)CC1.
What is the InChIKey of 1-cyclohexyl-4-(1,2,2-trifluoroethenyl)cyclohexane?
The InChIKey is KEVKYJBWQVCOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3/c15-13(14(16)17)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h10-12H,1-9H2.
What are the key properties of 1-cyclohexyl-4-(1,2,2-trifluoroethenyl)cyclohexane?
1-cyclohexyl-4-(1,2,2-trifluoroethenyl)cyclohexane has a molecular weight of 246.32 g/mol, XLogP of 5.45, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-(1,2,2-trifluoroethenyl)cyclohexane is sourced from PubChem (CID 70288870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).