4-amino-2,3-difluorobutanoic acid

C4H7F2NO2 — CID 83854582

IUPAC4-amino-2,3-difluorobutanoic acid
SMILESNCC(F)C(F)C(=O)O
InChIInChI=1S/C4H7F2NO2/c5-2(1-7)3(6)4(8)9/h2-3H,1,7H2,(H,8,9)
InChIKeyVVTTXQHNEVNUPL-UHFFFAOYSA-N
MW139.10 g/mol
LogP-0.29
Rot. Bonds3

About 4-amino-2,3-difluorobutanoic acid

4-amino-2,3-difluorobutanoic acid (PubChem CID 83854582) has the molecular formula C4H7F2NO2 and a molecular weight of 139.10 g/mol. Its IUPAC name is 4-amino-2,3-difluorobutanoic acid.

Molecular Properties

Compound Name4-amino-2,3-difluorobutanoic acid
PubChem CID83854582
Molecular FormulaC4H7F2NO2
Molecular Weight139.10 g/mol
Exact Mass139.04
IUPAC Name4-amino-2,3-difluorobutanoic acid
SMILESNCC(F)C(F)C(=O)O
InChIInChI=1S/C4H7F2NO2/c5-2(1-7)3(6)4(8)9/h2-3H,1,7H2,(H,8,9)
InChIKeyVVTTXQHNEVNUPL-UHFFFAOYSA-N
XLogP-0.29
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.10
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-amino-2,3-difluorobutanoic acid 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-amino-2,3-difluorobutanoic acid?
The IUPAC name of 4-amino-2,3-difluorobutanoic acid (CID 83854582) is 4-amino-2,3-difluorobutanoic acid.
What is the SMILES notation for 4-amino-2,3-difluorobutanoic acid?
The canonical SMILES for 4-amino-2,3-difluorobutanoic acid is NCC(F)C(F)C(=O)O.
What is the InChIKey of 4-amino-2,3-difluorobutanoic acid?
The InChIKey is VVTTXQHNEVNUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F2NO2/c5-2(1-7)3(6)4(8)9/h2-3H,1,7H2,(H,8,9).
What are the key properties of 4-amino-2,3-difluorobutanoic acid?
4-amino-2,3-difluorobutanoic acid has a molecular weight of 139.10 g/mol, XLogP of -0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,3-difluorobutanoic acid is sourced from PubChem (CID 83854582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).