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

C6H8F3N — CID 118540623

IUPAC2-(trifluoromethyl)cyclopent-2-en-1-amine
SMILESNC1CCC=C1C(F)(F)F
InChIInChI=1S/C6H8F3N/c7-6(8,9)4-2-1-3-5(4)10/h2,5H,1,3,10H2
InChIKeyJTGQDIGQBYTUER-UHFFFAOYSA-N
MW151.13 g/mol
LogP1.60
Rot. Bonds

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

2-(trifluoromethyl)cyclopent-2-en-1-amine (PubChem CID 118540623) has the molecular formula C6H8F3N and a molecular weight of 151.13 g/mol. Its IUPAC name is 2-(trifluoromethyl)cyclopent-2-en-1-amine.

Molecular Properties

Compound Name2-(trifluoromethyl)cyclopent-2-en-1-amine
PubChem CID118540623
Molecular FormulaC6H8F3N
Molecular Weight151.13 g/mol
Exact Mass151.06
IUPAC Name2-(trifluoromethyl)cyclopent-2-en-1-amine
SMILESNC1CCC=C1C(F)(F)F
InChIInChI=1S/C6H8F3N/c7-6(8,9)4-2-1-3-5(4)10/h2,5H,1,3,10H2
InChIKeyJTGQDIGQBYTUER-UHFFFAOYSA-N
XLogP1.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.13
LogP ≤ 51.60
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)cyclopent-2-en-1-amine?
The IUPAC name of 2-(trifluoromethyl)cyclopent-2-en-1-amine (CID 118540623) is 2-(trifluoromethyl)cyclopent-2-en-1-amine.
What is the SMILES notation for 2-(trifluoromethyl)cyclopent-2-en-1-amine?
The canonical SMILES for 2-(trifluoromethyl)cyclopent-2-en-1-amine is NC1CCC=C1C(F)(F)F.
What is the InChIKey of 2-(trifluoromethyl)cyclopent-2-en-1-amine?
The InChIKey is JTGQDIGQBYTUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N/c7-6(8,9)4-2-1-3-5(4)10/h2,5H,1,3,10H2.
What are the key properties of 2-(trifluoromethyl)cyclopent-2-en-1-amine?
2-(trifluoromethyl)cyclopent-2-en-1-amine has a molecular weight of 151.13 g/mol, XLogP of 1.60, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)cyclopent-2-en-1-amine is sourced from PubChem (CID 118540623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).