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

C9H13F3 — CID 22886878

IUPAC1-methyl-4-(1,2,2-trifluoroethenyl)cyclohexane
SMILESCC1CCC(C(F)=C(F)F)CC1
InChIInChI=1S/C9H13F3/c1-6-2-4-7(5-3-6)8(10)9(11)12/h6-7H,2-5H2,1H3
InChIKeyVNRYWQIOORGESD-UHFFFAOYSA-N
MW178.20 g/mol
LogP3.89
Rot. Bonds1

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

1-methyl-4-(1,2,2-trifluoroethenyl)cyclohexane (PubChem CID 22886878) has the molecular formula C9H13F3 and a molecular weight of 178.20 g/mol. Its IUPAC name is 1-methyl-4-(1,2,2-trifluoroethenyl)cyclohexane.

Molecular Properties

Compound Name1-methyl-4-(1,2,2-trifluoroethenyl)cyclohexane
PubChem CID22886878
Molecular FormulaC9H13F3
Molecular Weight178.20 g/mol
Exact Mass178.10
IUPAC Name1-methyl-4-(1,2,2-trifluoroethenyl)cyclohexane
SMILESCC1CCC(C(F)=C(F)F)CC1
InChIInChI=1S/C9H13F3/c1-6-2-4-7(5-3-6)8(10)9(11)12/h6-7H,2-5H2,1H3
InChIKeyVNRYWQIOORGESD-UHFFFAOYSA-N
XLogP3.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.20
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(Trifluorovinyl)cyclohexane
CID 2778011
1,1,2,3,3-Pentafluoroprop-2-enylcyclohexane
CID 10774972
1-(1,2,2-Trifluoroethenyl)-4-(trifluoromethyl)cyclohexane
CID 19961262
1-(2,2-Difluoroethenyl)-4-propylcyclohexane
CID 19961267
2-(trans-4-n-Propylcyclohexyl)-1,1,2-trifluoroethylene
CID 19961268
1-Fluoro-4-(1,2,2-trifluoroethenyl)cyclohexane
CID 19961274
1-(Difluoromethylidene)-4-methylcyclohexane
CID 20612495
2,2-Difluoroethenylcyclohexane
CID 22182864
2,3,3-Trifluoroprop-2-enylcyclohexane
CID 58491224
1-(2,2-Difluoroethenyl)-4-methylcyclohexane
CID 59946522
1-(2,2-Difluoroethenyl)-4-pentylcyclohexane
CID 67813164
1-(2,2-Difluoroethenyl)-4-heptylcyclohexane
CID 68011757

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(1,2,2-trifluoroethenyl)cyclohexane?
The IUPAC name of 1-methyl-4-(1,2,2-trifluoroethenyl)cyclohexane (CID 22886878) is 1-methyl-4-(1,2,2-trifluoroethenyl)cyclohexane.
What is the SMILES notation for 1-methyl-4-(1,2,2-trifluoroethenyl)cyclohexane?
The canonical SMILES for 1-methyl-4-(1,2,2-trifluoroethenyl)cyclohexane is CC1CCC(C(F)=C(F)F)CC1.
What is the InChIKey of 1-methyl-4-(1,2,2-trifluoroethenyl)cyclohexane?
The InChIKey is VNRYWQIOORGESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3/c1-6-2-4-7(5-3-6)8(10)9(11)12/h6-7H,2-5H2,1H3.
What are the key properties of 1-methyl-4-(1,2,2-trifluoroethenyl)cyclohexane?
1-methyl-4-(1,2,2-trifluoroethenyl)cyclohexane has a molecular weight of 178.20 g/mol, XLogP of 3.89, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(1,2,2-trifluoroethenyl)cyclohexane is sourced from PubChem (CID 22886878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).