1,1-difluoro-N-methylpropan-2-amine

C4H9F2N — CID 80609422

IUPAC1,1-difluoro-N-methylpropan-2-amine
SMILESCNC(C)C(F)F
InChIInChI=1S/C4H9F2N/c1-3(7-2)4(5)6/h3-4,7H,1-2H3
InChIKeyZIUSYMCNVQDNQK-UHFFFAOYSA-N
MW109.12 g/mol
LogP0.86
Rot. Bonds2

About 1,1-difluoro-N-methylpropan-2-amine

1,1-difluoro-N-methylpropan-2-amine (PubChem CID 80609422) has the molecular formula C4H9F2N and a molecular weight of 109.12 g/mol. Its IUPAC name is 1,1-difluoro-N-methylpropan-2-amine.

Molecular Properties

Compound Name1,1-difluoro-N-methylpropan-2-amine
PubChem CID80609422
Molecular FormulaC4H9F2N
Molecular Weight109.12 g/mol
Exact Mass109.07
IUPAC Name1,1-difluoro-N-methylpropan-2-amine
SMILESCNC(C)C(F)F
InChIInChI=1S/C4H9F2N/c1-3(7-2)4(5)6/h3-4,7H,1-2H3
InChIKeyZIUSYMCNVQDNQK-UHFFFAOYSA-N
XLogP0.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.12
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1,1-difluoro-N-methylpropan-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 1,1-difluoro-N-methylpropan-2-amine?
The IUPAC name of 1,1-difluoro-N-methylpropan-2-amine (CID 80609422) is 1,1-difluoro-N-methylpropan-2-amine.
What is the SMILES notation for 1,1-difluoro-N-methylpropan-2-amine?
The canonical SMILES for 1,1-difluoro-N-methylpropan-2-amine is CNC(C)C(F)F.
What is the InChIKey of 1,1-difluoro-N-methylpropan-2-amine?
The InChIKey is ZIUSYMCNVQDNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9F2N/c1-3(7-2)4(5)6/h3-4,7H,1-2H3.
What are the key properties of 1,1-difluoro-N-methylpropan-2-amine?
1,1-difluoro-N-methylpropan-2-amine has a molecular weight of 109.12 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-methylpropan-2-amine is sourced from PubChem (CID 80609422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).