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

C8H10F4 — CID 19961274

IUPAC1-fluoro-4-(1,2,2-trifluoroethenyl)cyclohexane
SMILESFC(F)=C(F)C1CCC(F)CC1
InChIInChI=1S/C8H10F4/c9-6-3-1-5(2-4-6)7(10)8(11)12/h5-6H,1-4H2
InChIKeyKSIZEZHICBRJLK-UHFFFAOYSA-N
MW182.16 g/mol
LogP3.59
Rot. Bonds1

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

1-fluoro-4-(1,2,2-trifluoroethenyl)cyclohexane (PubChem CID 19961274) has the molecular formula C8H10F4 and a molecular weight of 182.16 g/mol. Its IUPAC name is 1-fluoro-4-(1,2,2-trifluoroethenyl)cyclohexane.

Molecular Properties

Compound Name1-fluoro-4-(1,2,2-trifluoroethenyl)cyclohexane
PubChem CID19961274
Molecular FormulaC8H10F4
Molecular Weight182.16 g/mol
Exact Mass182.07
IUPAC Name1-fluoro-4-(1,2,2-trifluoroethenyl)cyclohexane
SMILESFC(F)=C(F)C1CCC(F)CC1
InChIInChI=1S/C8H10F4/c9-6-3-1-5(2-4-6)7(10)8(11)12/h5-6H,1-4H2
InChIKeyKSIZEZHICBRJLK-UHFFFAOYSA-N
XLogP3.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.16
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-(1,2,2-trifluoroethenyl)cyclohexane?
The IUPAC name of 1-fluoro-4-(1,2,2-trifluoroethenyl)cyclohexane (CID 19961274) is 1-fluoro-4-(1,2,2-trifluoroethenyl)cyclohexane.
What is the SMILES notation for 1-fluoro-4-(1,2,2-trifluoroethenyl)cyclohexane?
The canonical SMILES for 1-fluoro-4-(1,2,2-trifluoroethenyl)cyclohexane is FC(F)=C(F)C1CCC(F)CC1.
What is the InChIKey of 1-fluoro-4-(1,2,2-trifluoroethenyl)cyclohexane?
The InChIKey is KSIZEZHICBRJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F4/c9-6-3-1-5(2-4-6)7(10)8(11)12/h5-6H,1-4H2.
What are the key properties of 1-fluoro-4-(1,2,2-trifluoroethenyl)cyclohexane?
1-fluoro-4-(1,2,2-trifluoroethenyl)cyclohexane has a molecular weight of 182.16 g/mol, XLogP of 3.59, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-(1,2,2-trifluoroethenyl)cyclohexane is sourced from PubChem (CID 19961274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).