4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclopent-2-en-1-amine

C11H17F3N2 — CID 79208421

IUPAC4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclopent-2-en-1-amine
SMILESNC1C=CC(CN(CC(F)(F)F)C2CC2)C1
InChIInChI=1S/C11H17F3N2/c12-11(13,14)7-16(10-3-4-10)6-8-1-2-9(15)5-8/h1-2,8-10H,3-7,15H2
InChIKeyFVGHPKMHEJLZBY-UHFFFAOYSA-N
MW234.26 g/mol
LogP1.92
Rot. Bonds4

About 4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclopent-2-en-1-amine

4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclopent-2-en-1-amine (PubChem CID 79208421) has the molecular formula C11H17F3N2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclopent-2-en-1-amine.

Molecular Properties

Compound Name4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclopent-2-en-1-amine
PubChem CID79208421
Molecular FormulaC11H17F3N2
Molecular Weight234.26 g/mol
Exact Mass234.13
IUPAC Name4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclopent-2-en-1-amine
SMILESNC1C=CC(CN(CC(F)(F)F)C2CC2)C1
InChIInChI=1S/C11H17F3N2/c12-11(13,14)7-16(10-3-4-10)6-8-1-2-9(15)5-8/h1-2,8-10H,3-7,15H2
InChIKeyFVGHPKMHEJLZBY-UHFFFAOYSA-N
XLogP1.92
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclopent-2-en-1-amine?
The IUPAC name of 4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclopent-2-en-1-amine (CID 79208421) is 4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclopent-2-en-1-amine.
What is the SMILES notation for 4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclopent-2-en-1-amine?
The canonical SMILES for 4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclopent-2-en-1-amine is NC1C=CC(CN(CC(F)(F)F)C2CC2)C1.
What is the InChIKey of 4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclopent-2-en-1-amine?
The InChIKey is FVGHPKMHEJLZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2/c12-11(13,14)7-16(10-3-4-10)6-8-1-2-9(15)5-8/h1-2,8-10H,3-7,15H2.
What are the key properties of 4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclopent-2-en-1-amine?
4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclopent-2-en-1-amine has a molecular weight of 234.26 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclopent-2-en-1-amine is sourced from PubChem (CID 79208421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).