4-amino-2,2-difluorobutanoic acid

C4H7F2NO2 — CID 2735905

IUPAC4-amino-2,2-difluorobutanoic acid
SMILESNCCC(F)(F)C(=O)O
InChIInChI=1S/C4H7F2NO2/c5-4(6,1-2-7)3(8)9/h1-2,7H2,(H,8,9)
InChIKeyIVOHCVBJBZUONM-UHFFFAOYSA-N
MW139.10 g/mol
LogP0.06
Rot. Bonds3

About 4-amino-2,2-difluorobutanoic acid

4-amino-2,2-difluorobutanoic acid (PubChem CID 2735905) has the molecular formula C4H7F2NO2 and a molecular weight of 139.10 g/mol. Its IUPAC name is 4-amino-2,2-difluorobutanoic acid.

Molecular Properties

Compound Name4-amino-2,2-difluorobutanoic acid
PubChem CID2735905
Molecular FormulaC4H7F2NO2
Molecular Weight139.10 g/mol
Exact Mass139.04
IUPAC Name4-amino-2,2-difluorobutanoic acid
SMILESNCCC(F)(F)C(=O)O
InChIInChI=1S/C4H7F2NO2/c5-4(6,1-2-7)3(8)9/h1-2,7H2,(H,8,9)
InChIKeyIVOHCVBJBZUONM-UHFFFAOYSA-N
XLogP0.06
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 ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2,2-difluorobutanoic acid?
The IUPAC name of 4-amino-2,2-difluorobutanoic acid (CID 2735905) is 4-amino-2,2-difluorobutanoic acid.
What is the SMILES notation for 4-amino-2,2-difluorobutanoic acid?
The canonical SMILES for 4-amino-2,2-difluorobutanoic acid is NCCC(F)(F)C(=O)O.
What is the InChIKey of 4-amino-2,2-difluorobutanoic acid?
The InChIKey is IVOHCVBJBZUONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F2NO2/c5-4(6,1-2-7)3(8)9/h1-2,7H2,(H,8,9).
What are the key properties of 4-amino-2,2-difluorobutanoic acid?
4-amino-2,2-difluorobutanoic acid has a molecular weight of 139.10 g/mol, XLogP of 0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,2-difluorobutanoic acid is sourced from PubChem (CID 2735905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).