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

C9H10F6 — CID 19961262

IUPAC1-(1,2,2-trifluoroethenyl)-4-(trifluoromethyl)cyclohexane
SMILESFC(F)=C(F)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C9H10F6/c10-7(8(11)12)5-1-3-6(4-2-5)9(13,14)15/h5-6H,1-4H2
InChIKeyZENCETFLOBPOKA-UHFFFAOYSA-N
MW232.17 g/mol
LogP4.43
Rot. Bonds1

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

1-(1,2,2-trifluoroethenyl)-4-(trifluoromethyl)cyclohexane (PubChem CID 19961262) has the molecular formula C9H10F6 and a molecular weight of 232.17 g/mol. Its IUPAC name is 1-(1,2,2-trifluoroethenyl)-4-(trifluoromethyl)cyclohexane.

Molecular Properties

Compound Name1-(1,2,2-trifluoroethenyl)-4-(trifluoromethyl)cyclohexane
PubChem CID19961262
Molecular FormulaC9H10F6
Molecular Weight232.17 g/mol
Exact Mass232.07
IUPAC Name1-(1,2,2-trifluoroethenyl)-4-(trifluoromethyl)cyclohexane
SMILESFC(F)=C(F)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C9H10F6/c10-7(8(11)12)5-1-3-6(4-2-5)9(13,14)15/h5-6H,1-4H2
InChIKeyZENCETFLOBPOKA-UHFFFAOYSA-N
XLogP4.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.17
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2,2-trifluoroethenyl)-4-(trifluoromethyl)cyclohexane?
The IUPAC name of 1-(1,2,2-trifluoroethenyl)-4-(trifluoromethyl)cyclohexane (CID 19961262) is 1-(1,2,2-trifluoroethenyl)-4-(trifluoromethyl)cyclohexane.
What is the SMILES notation for 1-(1,2,2-trifluoroethenyl)-4-(trifluoromethyl)cyclohexane?
The canonical SMILES for 1-(1,2,2-trifluoroethenyl)-4-(trifluoromethyl)cyclohexane is FC(F)=C(F)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-(1,2,2-trifluoroethenyl)-4-(trifluoromethyl)cyclohexane?
The InChIKey is ZENCETFLOBPOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F6/c10-7(8(11)12)5-1-3-6(4-2-5)9(13,14)15/h5-6H,1-4H2.
What are the key properties of 1-(1,2,2-trifluoroethenyl)-4-(trifluoromethyl)cyclohexane?
1-(1,2,2-trifluoroethenyl)-4-(trifluoromethyl)cyclohexane has a molecular weight of 232.17 g/mol, XLogP of 4.43, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,2-trifluoroethenyl)-4-(trifluoromethyl)cyclohexane is sourced from PubChem (CID 19961262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).