3-amino-4,4-difluorobutan-1-ol

C4H9F2NO — CID 105427236

IUPAC3-amino-4,4-difluorobutan-1-ol
SMILESNC(CCO)C(F)F
InChIInChI=1S/C4H9F2NO/c5-4(6)3(7)1-2-8/h3-4,8H,1-2,7H2
InChIKeySFXJPSDXDNAPST-UHFFFAOYSA-N
MW125.12 g/mol
LogP-0.04
Rot. Bonds3

About 3-amino-4,4-difluorobutan-1-ol

3-amino-4,4-difluorobutan-1-ol (PubChem CID 105427236) has the molecular formula C4H9F2NO and a molecular weight of 125.12 g/mol. Its IUPAC name is 3-amino-4,4-difluorobutan-1-ol.

Molecular Properties

Compound Name3-amino-4,4-difluorobutan-1-ol
PubChem CID105427236
Molecular FormulaC4H9F2NO
Molecular Weight125.12 g/mol
Exact Mass125.07
IUPAC Name3-amino-4,4-difluorobutan-1-ol
SMILESNC(CCO)C(F)F
InChIInChI=1S/C4H9F2NO/c5-4(6)3(7)1-2-8/h3-4,8H,1-2,7H2
InChIKeySFXJPSDXDNAPST-UHFFFAOYSA-N
XLogP-0.04
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.12
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-amino-4,4-difluorobutan-1-ol 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 3-amino-4,4-difluorobutan-1-ol?
The IUPAC name of 3-amino-4,4-difluorobutan-1-ol (CID 105427236) is 3-amino-4,4-difluorobutan-1-ol.
What is the SMILES notation for 3-amino-4,4-difluorobutan-1-ol?
The canonical SMILES for 3-amino-4,4-difluorobutan-1-ol is NC(CCO)C(F)F.
What is the InChIKey of 3-amino-4,4-difluorobutan-1-ol?
The InChIKey is SFXJPSDXDNAPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9F2NO/c5-4(6)3(7)1-2-8/h3-4,8H,1-2,7H2.
What are the key properties of 3-amino-4,4-difluorobutan-1-ol?
3-amino-4,4-difluorobutan-1-ol has a molecular weight of 125.12 g/mol, XLogP of -0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,4-difluorobutan-1-ol is sourced from PubChem (CID 105427236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).