1,1,1-trifluoro-N,N-dimethylpent-4-en-2-amine

C7H12F3N — CID 10725755

IUPAC1,1,1-trifluoro-N,N-dimethylpent-4-en-2-amine
SMILESC=CCC(N(C)C)C(F)(F)F
InChIInChI=1S/C7H12F3N/c1-4-5-6(11(2)3)7(8,9)10/h4,6H,1,5H2,2-3H3
InChIKeyFDQPMVVIRQCFQV-UHFFFAOYSA-N
MW167.17 g/mol
LogP2.06
Rot. Bonds3

About 1,1,1-trifluoro-N,N-dimethylpent-4-en-2-amine

1,1,1-trifluoro-N,N-dimethylpent-4-en-2-amine (PubChem CID 10725755) has the molecular formula C7H12F3N and a molecular weight of 167.17 g/mol. Its IUPAC name is 1,1,1-trifluoro-N,N-dimethylpent-4-en-2-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-N,N-dimethylpent-4-en-2-amine
PubChem CID10725755
Molecular FormulaC7H12F3N
Molecular Weight167.17 g/mol
Exact Mass167.09
IUPAC Name1,1,1-trifluoro-N,N-dimethylpent-4-en-2-amine
SMILESC=CCC(N(C)C)C(F)(F)F
InChIInChI=1S/C7H12F3N/c1-4-5-6(11(2)3)7(8,9)10/h4,6H,1,5H2,2-3H3
InChIKeyFDQPMVVIRQCFQV-UHFFFAOYSA-N
XLogP2.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,1,1-trifluoro-N,N-dimethylpent-4-en-2-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 1,1,1-trifluoro-N,N-dimethylpent-4-en-2-amine?
The IUPAC name of 1,1,1-trifluoro-N,N-dimethylpent-4-en-2-amine (CID 10725755) is 1,1,1-trifluoro-N,N-dimethylpent-4-en-2-amine.
What is the SMILES notation for 1,1,1-trifluoro-N,N-dimethylpent-4-en-2-amine?
The canonical SMILES for 1,1,1-trifluoro-N,N-dimethylpent-4-en-2-amine is C=CCC(N(C)C)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N,N-dimethylpent-4-en-2-amine?
The InChIKey is FDQPMVVIRQCFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3N/c1-4-5-6(11(2)3)7(8,9)10/h4,6H,1,5H2,2-3H3.
What are the key properties of 1,1,1-trifluoro-N,N-dimethylpent-4-en-2-amine?
1,1,1-trifluoro-N,N-dimethylpent-4-en-2-amine has a molecular weight of 167.17 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N,N-dimethylpent-4-en-2-amine is sourced from PubChem (CID 10725755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).