N-ethyl-5,5,5-trifluoro-2-methylpent-1-en-3-amine

C8H14F3N — CID 79190185

IUPACN-ethyl-5,5,5-trifluoro-2-methylpent-1-en-3-amine
SMILESC=C(C)C(CC(F)(F)F)NCC
InChIInChI=1S/C8H14F3N/c1-4-12-7(6(2)3)5-8(9,10)11/h7,12H,2,4-5H2,1,3H3
InChIKeyVWSLQNAFOYKFJW-UHFFFAOYSA-N
MW181.20 g/mol
LogP2.49
Rot. Bonds4

About N-ethyl-5,5,5-trifluoro-2-methylpent-1-en-3-amine

N-ethyl-5,5,5-trifluoro-2-methylpent-1-en-3-amine (PubChem CID 79190185) has the molecular formula C8H14F3N and a molecular weight of 181.20 g/mol. Its IUPAC name is N-ethyl-5,5,5-trifluoro-2-methylpent-1-en-3-amine.

Molecular Properties

Compound NameN-ethyl-5,5,5-trifluoro-2-methylpent-1-en-3-amine
PubChem CID79190185
Molecular FormulaC8H14F3N
Molecular Weight181.20 g/mol
Exact Mass181.11
IUPAC NameN-ethyl-5,5,5-trifluoro-2-methylpent-1-en-3-amine
SMILESC=C(C)C(CC(F)(F)F)NCC
InChIInChI=1S/C8H14F3N/c1-4-12-7(6(2)3)5-8(9,10)11/h7,12H,2,4-5H2,1,3H3
InChIKeyVWSLQNAFOYKFJW-UHFFFAOYSA-N
XLogP2.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-ethyl-5,5,5-trifluoro-2-methylpent-1-en-3-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-ethyl-5,5,5-trifluoro-2-methylpent-1-en-3-amine?
The IUPAC name of N-ethyl-5,5,5-trifluoro-2-methylpent-1-en-3-amine (CID 79190185) is N-ethyl-5,5,5-trifluoro-2-methylpent-1-en-3-amine.
What is the SMILES notation for N-ethyl-5,5,5-trifluoro-2-methylpent-1-en-3-amine?
The canonical SMILES for N-ethyl-5,5,5-trifluoro-2-methylpent-1-en-3-amine is C=C(C)C(CC(F)(F)F)NCC.
What is the InChIKey of N-ethyl-5,5,5-trifluoro-2-methylpent-1-en-3-amine?
The InChIKey is VWSLQNAFOYKFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N/c1-4-12-7(6(2)3)5-8(9,10)11/h7,12H,2,4-5H2,1,3H3.
What are the key properties of N-ethyl-5,5,5-trifluoro-2-methylpent-1-en-3-amine?
N-ethyl-5,5,5-trifluoro-2-methylpent-1-en-3-amine has a molecular weight of 181.20 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5,5,5-trifluoro-2-methylpent-1-en-3-amine is sourced from PubChem (CID 79190185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).