1,2,2-trifluoroethenylcyclohexane

C8H11F3 — CID 2778011

IUPAC1,2,2-trifluoroethenylcyclohexane
SMILESFC(F)=C(F)C1CCCCC1
InChIInChI=1S/C8H11F3/c9-7(8(10)11)6-4-2-1-3-5-6/h6H,1-5H2
InChIKeyPHLOCCSLPHZEHM-UHFFFAOYSA-N
MW164.17 g/mol
LogP3.64
Rot. Bonds1

About 1,2,2-trifluoroethenylcyclohexane

1,2,2-trifluoroethenylcyclohexane (PubChem CID 2778011) has the molecular formula C8H11F3 and a molecular weight of 164.17 g/mol. Its IUPAC name is 1,2,2-trifluoroethenylcyclohexane.

Molecular Properties

Compound Name1,2,2-trifluoroethenylcyclohexane
PubChem CID2778011
Molecular FormulaC8H11F3
Molecular Weight164.17 g/mol
Exact Mass164.08
IUPAC Name1,2,2-trifluoroethenylcyclohexane
SMILESFC(F)=C(F)C1CCCCC1
InChIInChI=1S/C8H11F3/c9-7(8(10)11)6-4-2-1-3-5-6/h6H,1-5H2
InChIKeyPHLOCCSLPHZEHM-UHFFFAOYSA-N
XLogP3.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2,2-trifluoroethenylcyclohexane?
The IUPAC name of 1,2,2-trifluoroethenylcyclohexane (CID 2778011) is 1,2,2-trifluoroethenylcyclohexane.
What is the SMILES notation for 1,2,2-trifluoroethenylcyclohexane?
The canonical SMILES for 1,2,2-trifluoroethenylcyclohexane is FC(F)=C(F)C1CCCCC1.
What is the InChIKey of 1,2,2-trifluoroethenylcyclohexane?
The InChIKey is PHLOCCSLPHZEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3/c9-7(8(10)11)6-4-2-1-3-5-6/h6H,1-5H2.
What are the key properties of 1,2,2-trifluoroethenylcyclohexane?
1,2,2-trifluoroethenylcyclohexane has a molecular weight of 164.17 g/mol, XLogP of 3.64, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2-trifluoroethenylcyclohexane is sourced from PubChem (CID 2778011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).