2-methyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine

C6H13F3N2 — CID 61264894

IUPAC2-methyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
SMILESCC(C)(N)CNCC(F)(F)F
InChIInChI=1S/C6H13F3N2/c1-5(2,10)3-11-4-6(7,8)9/h11H,3-4,10H2,1-2H3
InChIKeyVUADQYVSEOYWNF-UHFFFAOYSA-N
MW170.18 g/mol
LogP0.88
Rot. Bonds3

About 2-methyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine

2-methyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine (PubChem CID 61264894) has the molecular formula C6H13F3N2 and a molecular weight of 170.18 g/mol. Its IUPAC name is 2-methyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-methyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
PubChem CID61264894
Molecular FormulaC6H13F3N2
Molecular Weight170.18 g/mol
Exact Mass170.10
IUPAC Name2-methyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
SMILESCC(C)(N)CNCC(F)(F)F
InChIInChI=1S/C6H13F3N2/c1-5(2,10)3-11-4-6(7,8)9/h11H,3-4,10H2,1-2H3
InChIKeyVUADQYVSEOYWNF-UHFFFAOYSA-N
XLogP0.88
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.18
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-methyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine 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 2-methyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
The IUPAC name of 2-methyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine (CID 61264894) is 2-methyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine.
What is the SMILES notation for 2-methyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
The canonical SMILES for 2-methyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine is CC(C)(N)CNCC(F)(F)F.
What is the InChIKey of 2-methyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
The InChIKey is VUADQYVSEOYWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F3N2/c1-5(2,10)3-11-4-6(7,8)9/h11H,3-4,10H2,1-2H3.
What are the key properties of 2-methyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
2-methyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine has a molecular weight of 170.18 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine is sourced from PubChem (CID 61264894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).