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

C7H10F3N — CID 89074115

IUPAC2-(trifluoromethyl)cyclohex-2-en-1-amine
SMILESNC1CCCC=C1C(F)(F)F
InChIInChI=1S/C7H10F3N/c8-7(9,10)5-3-1-2-4-6(5)11/h3,6H,1-2,4,11H2
InChIKeyIWLAMUQYBSJZKD-UHFFFAOYSA-N
MW165.16 g/mol
LogP1.99
Rot. Bonds

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

2-(trifluoromethyl)cyclohex-2-en-1-amine (PubChem CID 89074115) has the molecular formula C7H10F3N and a molecular weight of 165.16 g/mol. Its IUPAC name is 2-(trifluoromethyl)cyclohex-2-en-1-amine.

Molecular Properties

Compound Name2-(trifluoromethyl)cyclohex-2-en-1-amine
PubChem CID89074115
Molecular FormulaC7H10F3N
Molecular Weight165.16 g/mol
Exact Mass165.08
IUPAC Name2-(trifluoromethyl)cyclohex-2-en-1-amine
SMILESNC1CCCC=C1C(F)(F)F
InChIInChI=1S/C7H10F3N/c8-7(9,10)5-3-1-2-4-6(5)11/h3,6H,1-2,4,11H2
InChIKeyIWLAMUQYBSJZKD-UHFFFAOYSA-N
XLogP1.99
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.16
LogP ≤ 51.99
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-(trifluoromethyl)cyclohex-2-en-1-amine?
The IUPAC name of 2-(trifluoromethyl)cyclohex-2-en-1-amine (CID 89074115) is 2-(trifluoromethyl)cyclohex-2-en-1-amine.
What is the SMILES notation for 2-(trifluoromethyl)cyclohex-2-en-1-amine?
The canonical SMILES for 2-(trifluoromethyl)cyclohex-2-en-1-amine is NC1CCCC=C1C(F)(F)F.
What is the InChIKey of 2-(trifluoromethyl)cyclohex-2-en-1-amine?
The InChIKey is IWLAMUQYBSJZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N/c8-7(9,10)5-3-1-2-4-6(5)11/h3,6H,1-2,4,11H2.
What are the key properties of 2-(trifluoromethyl)cyclohex-2-en-1-amine?
2-(trifluoromethyl)cyclohex-2-en-1-amine has a molecular weight of 165.16 g/mol, XLogP of 1.99, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)cyclohex-2-en-1-amine is sourced from PubChem (CID 89074115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).