N-methyl-1-(2,2,2-trifluoroethoxy)hept-6-yn-2-amine

C10H16F3NO — CID 103216179

IUPACN-methyl-1-(2,2,2-trifluoroethoxy)hept-6-yn-2-amine
SMILESC#CCCCC(COCC(F)(F)F)NC
InChIInChI=1S/C10H16F3NO/c1-3-4-5-6-9(14-2)7-15-8-10(11,12)13/h1,9,14H,4-8H2,2H3
InChIKeyIVPAQENOTFIIOA-UHFFFAOYSA-N
MW223.24 g/mol
LogP1.96
Rot. Bonds7

About N-methyl-1-(2,2,2-trifluoroethoxy)hept-6-yn-2-amine

N-methyl-1-(2,2,2-trifluoroethoxy)hept-6-yn-2-amine (PubChem CID 103216179) has the molecular formula C10H16F3NO and a molecular weight of 223.24 g/mol. Its IUPAC name is N-methyl-1-(2,2,2-trifluoroethoxy)hept-6-yn-2-amine.

Molecular Properties

Compound NameN-methyl-1-(2,2,2-trifluoroethoxy)hept-6-yn-2-amine
PubChem CID103216179
Molecular FormulaC10H16F3NO
Molecular Weight223.24 g/mol
Exact Mass223.12
IUPAC NameN-methyl-1-(2,2,2-trifluoroethoxy)hept-6-yn-2-amine
SMILESC#CCCCC(COCC(F)(F)F)NC
InChIInChI=1S/C10H16F3NO/c1-3-4-5-6-9(14-2)7-15-8-10(11,12)13/h1,9,14H,4-8H2,2H3
InChIKeyIVPAQENOTFIIOA-UHFFFAOYSA-N
XLogP1.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-methyl-1-(2,2,2-trifluoroethoxy)hept-6-yn-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 N-methyl-1-(2,2,2-trifluoroethoxy)hept-6-yn-2-amine?
The IUPAC name of N-methyl-1-(2,2,2-trifluoroethoxy)hept-6-yn-2-amine (CID 103216179) is N-methyl-1-(2,2,2-trifluoroethoxy)hept-6-yn-2-amine.
What is the SMILES notation for N-methyl-1-(2,2,2-trifluoroethoxy)hept-6-yn-2-amine?
The canonical SMILES for N-methyl-1-(2,2,2-trifluoroethoxy)hept-6-yn-2-amine is C#CCCCC(COCC(F)(F)F)NC.
What is the InChIKey of N-methyl-1-(2,2,2-trifluoroethoxy)hept-6-yn-2-amine?
The InChIKey is IVPAQENOTFIIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO/c1-3-4-5-6-9(14-2)7-15-8-10(11,12)13/h1,9,14H,4-8H2,2H3.
What are the key properties of N-methyl-1-(2,2,2-trifluoroethoxy)hept-6-yn-2-amine?
N-methyl-1-(2,2,2-trifluoroethoxy)hept-6-yn-2-amine has a molecular weight of 223.24 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2,2,2-trifluoroethoxy)hept-6-yn-2-amine is sourced from PubChem (CID 103216179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).