1,1,1-trifluoro-N-methylhex-5-yn-3-amine

C7H10F3N — CID 62233527

IUPAC1,1,1-trifluoro-N-methylhex-5-yn-3-amine
SMILESC#CCC(CC(F)(F)F)NC
InChIInChI=1S/C7H10F3N/c1-3-4-6(11-2)5-7(8,9)10/h1,6,11H,4-5H2,2H3
InChIKeyYHPDFMXKMSDTDK-UHFFFAOYSA-N
MW165.16 g/mol
LogP1.55
Rot. Bonds3

About 1,1,1-trifluoro-N-methylhex-5-yn-3-amine

1,1,1-trifluoro-N-methylhex-5-yn-3-amine (PubChem CID 62233527) has the molecular formula C7H10F3N and a molecular weight of 165.16 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-methylhex-5-yn-3-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-N-methylhex-5-yn-3-amine
PubChem CID62233527
Molecular FormulaC7H10F3N
Molecular Weight165.16 g/mol
Exact Mass165.08
IUPAC Name1,1,1-trifluoro-N-methylhex-5-yn-3-amine
SMILESC#CCC(CC(F)(F)F)NC
InChIInChI=1S/C7H10F3N/c1-3-4-6(11-2)5-7(8,9)10/h1,6,11H,4-5H2,2H3
InChIKeyYHPDFMXKMSDTDK-UHFFFAOYSA-N
XLogP1.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.16
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,1,1-trifluoro-N-methylhex-5-yn-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 1,1,1-trifluoro-N-methylhex-5-yn-3-amine?
The IUPAC name of 1,1,1-trifluoro-N-methylhex-5-yn-3-amine (CID 62233527) is 1,1,1-trifluoro-N-methylhex-5-yn-3-amine.
What is the SMILES notation for 1,1,1-trifluoro-N-methylhex-5-yn-3-amine?
The canonical SMILES for 1,1,1-trifluoro-N-methylhex-5-yn-3-amine is C#CCC(CC(F)(F)F)NC.
What is the InChIKey of 1,1,1-trifluoro-N-methylhex-5-yn-3-amine?
The InChIKey is YHPDFMXKMSDTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N/c1-3-4-6(11-2)5-7(8,9)10/h1,6,11H,4-5H2,2H3.
What are the key properties of 1,1,1-trifluoro-N-methylhex-5-yn-3-amine?
1,1,1-trifluoro-N-methylhex-5-yn-3-amine has a molecular weight of 165.16 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-methylhex-5-yn-3-amine is sourced from PubChem (CID 62233527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).