1-(difluoromethoxy)-3-methylbutan-2-amine

C6H13F2NO — CID 84716517

IUPAC1-(difluoromethoxy)-3-methylbutan-2-amine
SMILESCC(C)C(N)COC(F)F
InChIInChI=1S/C6H13F2NO/c1-4(2)5(9)3-10-6(7)8/h4-6H,3,9H2,1-2H3
InChIKeyZLJIKUAWCLUVDL-UHFFFAOYSA-N
MW153.17 g/mol
LogP1.21
Rot. Bonds4

About 1-(difluoromethoxy)-3-methylbutan-2-amine

1-(difluoromethoxy)-3-methylbutan-2-amine (PubChem CID 84716517) has the molecular formula C6H13F2NO and a molecular weight of 153.17 g/mol. Its IUPAC name is 1-(difluoromethoxy)-3-methylbutan-2-amine.

Molecular Properties

Compound Name1-(difluoromethoxy)-3-methylbutan-2-amine
PubChem CID84716517
Molecular FormulaC6H13F2NO
Molecular Weight153.17 g/mol
Exact Mass153.10
IUPAC Name1-(difluoromethoxy)-3-methylbutan-2-amine
SMILESCC(C)C(N)COC(F)F
InChIInChI=1S/C6H13F2NO/c1-4(2)5(9)3-10-6(7)8/h4-6H,3,9H2,1-2H3
InChIKeyZLJIKUAWCLUVDL-UHFFFAOYSA-N
XLogP1.21
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.17
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(difluoromethoxy)-3-methylbutan-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 1-(difluoromethoxy)-3-methylbutan-2-amine?
The IUPAC name of 1-(difluoromethoxy)-3-methylbutan-2-amine (CID 84716517) is 1-(difluoromethoxy)-3-methylbutan-2-amine.
What is the SMILES notation for 1-(difluoromethoxy)-3-methylbutan-2-amine?
The canonical SMILES for 1-(difluoromethoxy)-3-methylbutan-2-amine is CC(C)C(N)COC(F)F.
What is the InChIKey of 1-(difluoromethoxy)-3-methylbutan-2-amine?
The InChIKey is ZLJIKUAWCLUVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F2NO/c1-4(2)5(9)3-10-6(7)8/h4-6H,3,9H2,1-2H3.
What are the key properties of 1-(difluoromethoxy)-3-methylbutan-2-amine?
1-(difluoromethoxy)-3-methylbutan-2-amine has a molecular weight of 153.17 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-3-methylbutan-2-amine is sourced from PubChem (CID 84716517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).