2-(2,2-difluoroethoxy)-2-methylbutan-1-amine

C7H15F2NO — CID 65053288

IUPAC2-(2,2-difluoroethoxy)-2-methylbutan-1-amine
SMILESCCC(C)(CN)OCC(F)F
InChIInChI=1S/C7H15F2NO/c1-3-7(2,5-10)11-4-6(8)9/h6H,3-5,10H2,1-2H3
InChIKeyAWSQLVKCZUSRCM-UHFFFAOYSA-N
MW167.20 g/mol
LogP1.40
Rot. Bonds5

About 2-(2,2-difluoroethoxy)-2-methylbutan-1-amine

2-(2,2-difluoroethoxy)-2-methylbutan-1-amine (PubChem CID 65053288) has the molecular formula C7H15F2NO and a molecular weight of 167.20 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)-2-methylbutan-1-amine.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)-2-methylbutan-1-amine
PubChem CID65053288
Molecular FormulaC7H15F2NO
Molecular Weight167.20 g/mol
Exact Mass167.11
IUPAC Name2-(2,2-difluoroethoxy)-2-methylbutan-1-amine
SMILESCCC(C)(CN)OCC(F)F
InChIInChI=1S/C7H15F2NO/c1-3-7(2,5-10)11-4-6(8)9/h6H,3-5,10H2,1-2H3
InChIKeyAWSQLVKCZUSRCM-UHFFFAOYSA-N
XLogP1.40
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.20
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2,2-difluoroethoxy)-2-methylbutan-1-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 2-(2,2-difluoroethoxy)-2-methylbutan-1-amine?
The IUPAC name of 2-(2,2-difluoroethoxy)-2-methylbutan-1-amine (CID 65053288) is 2-(2,2-difluoroethoxy)-2-methylbutan-1-amine.
What is the SMILES notation for 2-(2,2-difluoroethoxy)-2-methylbutan-1-amine?
The canonical SMILES for 2-(2,2-difluoroethoxy)-2-methylbutan-1-amine is CCC(C)(CN)OCC(F)F.
What is the InChIKey of 2-(2,2-difluoroethoxy)-2-methylbutan-1-amine?
The InChIKey is AWSQLVKCZUSRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F2NO/c1-3-7(2,5-10)11-4-6(8)9/h6H,3-5,10H2,1-2H3.
What are the key properties of 2-(2,2-difluoroethoxy)-2-methylbutan-1-amine?
2-(2,2-difluoroethoxy)-2-methylbutan-1-amine has a molecular weight of 167.20 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxy)-2-methylbutan-1-amine is sourced from PubChem (CID 65053288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).