N-(2,2,2-trifluoroethoxy)pent-4-en-1-amine

C7H12F3NO — CID 82721892

IUPACN-(2,2,2-trifluoroethoxy)pent-4-en-1-amine
SMILESC=CCCCNOCC(F)(F)F
InChIInChI=1S/C7H12F3NO/c1-2-3-4-5-11-12-6-7(8,9)10/h2,11H,1,3-6H2
InChIKeyNLLOWJYVJOGXGF-UHFFFAOYSA-N
MW183.17 g/mol
LogP2.04
Rot. Bonds6

About N-(2,2,2-trifluoroethoxy)pent-4-en-1-amine

N-(2,2,2-trifluoroethoxy)pent-4-en-1-amine (PubChem CID 82721892) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethoxy)pent-4-en-1-amine.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethoxy)pent-4-en-1-amine
PubChem CID82721892
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC NameN-(2,2,2-trifluoroethoxy)pent-4-en-1-amine
SMILESC=CCCCNOCC(F)(F)F
InChIInChI=1S/C7H12F3NO/c1-2-3-4-5-11-12-6-7(8,9)10/h2,11H,1,3-6H2
InChIKeyNLLOWJYVJOGXGF-UHFFFAOYSA-N
XLogP2.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(2,2,2-trifluoroethoxy)pent-4-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethoxy)pent-4-en-1-amine?
The IUPAC name of N-(2,2,2-trifluoroethoxy)pent-4-en-1-amine (CID 82721892) is N-(2,2,2-trifluoroethoxy)pent-4-en-1-amine.
What is the SMILES notation for N-(2,2,2-trifluoroethoxy)pent-4-en-1-amine?
The canonical SMILES for N-(2,2,2-trifluoroethoxy)pent-4-en-1-amine is C=CCCCNOCC(F)(F)F.
What is the InChIKey of N-(2,2,2-trifluoroethoxy)pent-4-en-1-amine?
The InChIKey is NLLOWJYVJOGXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO/c1-2-3-4-5-11-12-6-7(8,9)10/h2,11H,1,3-6H2.
What are the key properties of N-(2,2,2-trifluoroethoxy)pent-4-en-1-amine?
N-(2,2,2-trifluoroethoxy)pent-4-en-1-amine has a molecular weight of 183.17 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethoxy)pent-4-en-1-amine is sourced from PubChem (CID 82721892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).