4-methoxy-1-N-methyl-1-N-(2,2,2-trifluoroethyl)butane-1,2-diamine

C8H17F3N2O — CID 62476973

IUPAC4-methoxy-1-N-methyl-1-N-(2,2,2-trifluoroethyl)butane-1,2-diamine
SMILESCOCCC(N)CN(C)CC(F)(F)F
InChIInChI=1S/C8H17F3N2O/c1-13(6-8(9,10)11)5-7(12)3-4-14-2/h7H,3-6,12H2,1-2H3
InChIKeyCAAFVJCTELGFKW-UHFFFAOYSA-N
MW214.23 g/mol
LogP0.84
Rot. Bonds6

About 4-methoxy-1-N-methyl-1-N-(2,2,2-trifluoroethyl)butane-1,2-diamine

4-methoxy-1-N-methyl-1-N-(2,2,2-trifluoroethyl)butane-1,2-diamine (PubChem CID 62476973) has the molecular formula C8H17F3N2O and a molecular weight of 214.23 g/mol. Its IUPAC name is 4-methoxy-1-N-methyl-1-N-(2,2,2-trifluoroethyl)butane-1,2-diamine.

Molecular Properties

Compound Name4-methoxy-1-N-methyl-1-N-(2,2,2-trifluoroethyl)butane-1,2-diamine
PubChem CID62476973
Molecular FormulaC8H17F3N2O
Molecular Weight214.23 g/mol
Exact Mass214.13
IUPAC Name4-methoxy-1-N-methyl-1-N-(2,2,2-trifluoroethyl)butane-1,2-diamine
SMILESCOCCC(N)CN(C)CC(F)(F)F
InChIInChI=1S/C8H17F3N2O/c1-13(6-8(9,10)11)5-7(12)3-4-14-2/h7H,3-6,12H2,1-2H3
InChIKeyCAAFVJCTELGFKW-UHFFFAOYSA-N
XLogP0.84
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methoxy-1-N-methyl-1-N-(2,2,2-trifluoroethyl)butane-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 4-methoxy-1-N-methyl-1-N-(2,2,2-trifluoroethyl)butane-1,2-diamine?
The IUPAC name of 4-methoxy-1-N-methyl-1-N-(2,2,2-trifluoroethyl)butane-1,2-diamine (CID 62476973) is 4-methoxy-1-N-methyl-1-N-(2,2,2-trifluoroethyl)butane-1,2-diamine.
What is the SMILES notation for 4-methoxy-1-N-methyl-1-N-(2,2,2-trifluoroethyl)butane-1,2-diamine?
The canonical SMILES for 4-methoxy-1-N-methyl-1-N-(2,2,2-trifluoroethyl)butane-1,2-diamine is COCCC(N)CN(C)CC(F)(F)F.
What is the InChIKey of 4-methoxy-1-N-methyl-1-N-(2,2,2-trifluoroethyl)butane-1,2-diamine?
The InChIKey is CAAFVJCTELGFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F3N2O/c1-13(6-8(9,10)11)5-7(12)3-4-14-2/h7H,3-6,12H2,1-2H3.
What are the key properties of 4-methoxy-1-N-methyl-1-N-(2,2,2-trifluoroethyl)butane-1,2-diamine?
4-methoxy-1-N-methyl-1-N-(2,2,2-trifluoroethyl)butane-1,2-diamine has a molecular weight of 214.23 g/mol, XLogP of 0.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-N-methyl-1-N-(2,2,2-trifluoroethyl)butane-1,2-diamine is sourced from PubChem (CID 62476973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).