N-cyclopent-3-en-1-yl-4-(trifluoromethyl)cyclohexan-1-amine

C12H18F3N — CID 104844774

IUPACN-cyclopent-3-en-1-yl-4-(trifluoromethyl)cyclohexan-1-amine
SMILESFC(F)(F)C1CCC(NC2CC=CC2)CC1
InChIInChI=1S/C12H18F3N/c13-12(14,15)9-5-7-11(8-6-9)16-10-3-1-2-4-10/h1-2,9-11,16H,3-8H2
InChIKeyIUHQWVXQZXNVEM-UHFFFAOYSA-N
MW233.28 g/mol
LogP3.42
Rot. Bonds2

About N-cyclopent-3-en-1-yl-4-(trifluoromethyl)cyclohexan-1-amine

N-cyclopent-3-en-1-yl-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 104844774) has the molecular formula C12H18F3N and a molecular weight of 233.28 g/mol. Its IUPAC name is N-cyclopent-3-en-1-yl-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-cyclopent-3-en-1-yl-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID104844774
Molecular FormulaC12H18F3N
Molecular Weight233.28 g/mol
Exact Mass233.14
IUPAC NameN-cyclopent-3-en-1-yl-4-(trifluoromethyl)cyclohexan-1-amine
SMILESFC(F)(F)C1CCC(NC2CC=CC2)CC1
InChIInChI=1S/C12H18F3N/c13-12(14,15)9-5-7-11(8-6-9)16-10-3-1-2-4-10/h1-2,9-11,16H,3-8H2
InChIKeyIUHQWVXQZXNVEM-UHFFFAOYSA-N
XLogP3.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 53.42
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 N-cyclopent-3-en-1-yl-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-cyclopent-3-en-1-yl-4-(trifluoromethyl)cyclohexan-1-amine (CID 104844774) is N-cyclopent-3-en-1-yl-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-cyclopent-3-en-1-yl-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-cyclopent-3-en-1-yl-4-(trifluoromethyl)cyclohexan-1-amine is FC(F)(F)C1CCC(NC2CC=CC2)CC1.
What is the InChIKey of N-cyclopent-3-en-1-yl-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is IUHQWVXQZXNVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N/c13-12(14,15)9-5-7-11(8-6-9)16-10-3-1-2-4-10/h1-2,9-11,16H,3-8H2.
What are the key properties of N-cyclopent-3-en-1-yl-4-(trifluoromethyl)cyclohexan-1-amine?
N-cyclopent-3-en-1-yl-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 233.28 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopent-3-en-1-yl-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 104844774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).