2-methyl-4-(trifluoromethyl)cyclohex-2-en-1-amine

C8H12F3N — CID 89074090

IUPAC2-methyl-4-(trifluoromethyl)cyclohex-2-en-1-amine
SMILESCC1=CC(C(F)(F)F)CCC1N
InChIInChI=1S/C8H12F3N/c1-5-4-6(8(9,10)11)2-3-7(5)12/h4,6-7H,2-3,12H2,1H3
InChIKeyGZZUIQJPJGLMHN-UHFFFAOYSA-N
MW179.19 g/mol
LogP2.23
Rot. Bonds

About 2-methyl-4-(trifluoromethyl)cyclohex-2-en-1-amine

2-methyl-4-(trifluoromethyl)cyclohex-2-en-1-amine (PubChem CID 89074090) has the molecular formula C8H12F3N and a molecular weight of 179.19 g/mol. Its IUPAC name is 2-methyl-4-(trifluoromethyl)cyclohex-2-en-1-amine.

Molecular Properties

Compound Name2-methyl-4-(trifluoromethyl)cyclohex-2-en-1-amine
PubChem CID89074090
Molecular FormulaC8H12F3N
Molecular Weight179.19 g/mol
Exact Mass179.09
IUPAC Name2-methyl-4-(trifluoromethyl)cyclohex-2-en-1-amine
SMILESCC1=CC(C(F)(F)F)CCC1N
InChIInChI=1S/C8H12F3N/c1-5-4-6(8(9,10)11)2-3-7(5)12/h4,6-7H,2-3,12H2,1H3
InChIKeyGZZUIQJPJGLMHN-UHFFFAOYSA-N
XLogP2.23
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 ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(trifluoromethyl)cyclohex-2-en-1-amine?
The IUPAC name of 2-methyl-4-(trifluoromethyl)cyclohex-2-en-1-amine (CID 89074090) is 2-methyl-4-(trifluoromethyl)cyclohex-2-en-1-amine.
What is the SMILES notation for 2-methyl-4-(trifluoromethyl)cyclohex-2-en-1-amine?
The canonical SMILES for 2-methyl-4-(trifluoromethyl)cyclohex-2-en-1-amine is CC1=CC(C(F)(F)F)CCC1N.
What is the InChIKey of 2-methyl-4-(trifluoromethyl)cyclohex-2-en-1-amine?
The InChIKey is GZZUIQJPJGLMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N/c1-5-4-6(8(9,10)11)2-3-7(5)12/h4,6-7H,2-3,12H2,1H3.
What are the key properties of 2-methyl-4-(trifluoromethyl)cyclohex-2-en-1-amine?
2-methyl-4-(trifluoromethyl)cyclohex-2-en-1-amine has a molecular weight of 179.19 g/mol, XLogP of 2.23, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(trifluoromethyl)cyclohex-2-en-1-amine is sourced from PubChem (CID 89074090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).