4-methyl-6-(trifluoromethyl)cyclohexen-1-amine

C8H12F3N — CID 89038480

IUPAC4-methyl-6-(trifluoromethyl)cyclohexen-1-amine
SMILESCC1CC=C(N)C(C(F)(F)F)C1
InChIInChI=1S/C8H12F3N/c1-5-2-3-7(12)6(4-5)8(9,10)11/h3,5-6H,2,4,12H2,1H3
InChIKeyKYCIGEDXZNLECO-UHFFFAOYSA-N
MW179.19 g/mol
LogP2.44
Rot. Bonds

About 4-methyl-6-(trifluoromethyl)cyclohexen-1-amine

4-methyl-6-(trifluoromethyl)cyclohexen-1-amine (PubChem CID 89038480) has the molecular formula C8H12F3N and a molecular weight of 179.19 g/mol. Its IUPAC name is 4-methyl-6-(trifluoromethyl)cyclohexen-1-amine.

Molecular Properties

Compound Name4-methyl-6-(trifluoromethyl)cyclohexen-1-amine
PubChem CID89038480
Molecular FormulaC8H12F3N
Molecular Weight179.19 g/mol
Exact Mass179.09
IUPAC Name4-methyl-6-(trifluoromethyl)cyclohexen-1-amine
SMILESCC1CC=C(N)C(C(F)(F)F)C1
InChIInChI=1S/C8H12F3N/c1-5-2-3-7(12)6(4-5)8(9,10)11/h3,5-6H,2,4,12H2,1H3
InChIKeyKYCIGEDXZNLECO-UHFFFAOYSA-N
XLogP2.44
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(trifluoromethyl)cyclohexen-1-amine?
The IUPAC name of 4-methyl-6-(trifluoromethyl)cyclohexen-1-amine (CID 89038480) is 4-methyl-6-(trifluoromethyl)cyclohexen-1-amine.
What is the SMILES notation for 4-methyl-6-(trifluoromethyl)cyclohexen-1-amine?
The canonical SMILES for 4-methyl-6-(trifluoromethyl)cyclohexen-1-amine is CC1CC=C(N)C(C(F)(F)F)C1.
What is the InChIKey of 4-methyl-6-(trifluoromethyl)cyclohexen-1-amine?
The InChIKey is KYCIGEDXZNLECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N/c1-5-2-3-7(12)6(4-5)8(9,10)11/h3,5-6H,2,4,12H2,1H3.
What are the key properties of 4-methyl-6-(trifluoromethyl)cyclohexen-1-amine?
4-methyl-6-(trifluoromethyl)cyclohexen-1-amine has a molecular weight of 179.19 g/mol, XLogP of 2.44, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(trifluoromethyl)cyclohexen-1-amine is sourced from PubChem (CID 89038480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).