6-methyl-2-(trifluoromethyl)cyclohex-3-en-1-amine

C8H12F3N — CID 167159729

IUPAC6-methyl-2-(trifluoromethyl)cyclohex-3-en-1-amine
SMILESCC1CC=CC(C(F)(F)F)C1N
InChIInChI=1S/C8H12F3N/c1-5-3-2-4-6(7(5)12)8(9,10)11/h2,4-7H,3,12H2,1H3
InChIKeyDHOJIFFNPICBQD-UHFFFAOYSA-N
MW179.19 g/mol
LogP2.09
Rot. Bonds

About 6-methyl-2-(trifluoromethyl)cyclohex-3-en-1-amine

6-methyl-2-(trifluoromethyl)cyclohex-3-en-1-amine (PubChem CID 167159729) has the molecular formula C8H12F3N and a molecular weight of 179.19 g/mol. Its IUPAC name is 6-methyl-2-(trifluoromethyl)cyclohex-3-en-1-amine.

Molecular Properties

Compound Name6-methyl-2-(trifluoromethyl)cyclohex-3-en-1-amine
PubChem CID167159729
Molecular FormulaC8H12F3N
Molecular Weight179.19 g/mol
Exact Mass179.09
IUPAC Name6-methyl-2-(trifluoromethyl)cyclohex-3-en-1-amine
SMILESCC1CC=CC(C(F)(F)F)C1N
InChIInChI=1S/C8H12F3N/c1-5-3-2-4-6(7(5)12)8(9,10)11/h2,4-7H,3,12H2,1H3
InChIKeyDHOJIFFNPICBQD-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
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 6-methyl-2-(trifluoromethyl)cyclohex-3-en-1-amine?
The IUPAC name of 6-methyl-2-(trifluoromethyl)cyclohex-3-en-1-amine (CID 167159729) is 6-methyl-2-(trifluoromethyl)cyclohex-3-en-1-amine.
What is the SMILES notation for 6-methyl-2-(trifluoromethyl)cyclohex-3-en-1-amine?
The canonical SMILES for 6-methyl-2-(trifluoromethyl)cyclohex-3-en-1-amine is CC1CC=CC(C(F)(F)F)C1N.
What is the InChIKey of 6-methyl-2-(trifluoromethyl)cyclohex-3-en-1-amine?
The InChIKey is DHOJIFFNPICBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N/c1-5-3-2-4-6(7(5)12)8(9,10)11/h2,4-7H,3,12H2,1H3.
What are the key properties of 6-methyl-2-(trifluoromethyl)cyclohex-3-en-1-amine?
6-methyl-2-(trifluoromethyl)cyclohex-3-en-1-amine has a molecular weight of 179.19 g/mol, XLogP of 2.09, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(trifluoromethyl)cyclohex-3-en-1-amine is sourced from PubChem (CID 167159729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).