3-amino-2,2-difluoropropanoic acid

C3H5F2NO2 — CID 2756405

IUPAC3-amino-2,2-difluoropropanoic acid
SMILESNCC(F)(F)C(=O)O
InChIInChI=1S/C3H5F2NO2/c4-3(5,1-6)2(7)8/h1,6H2,(H,7,8)
InChIKeyOEXAUVBPMONLBF-UHFFFAOYSA-N
MW125.07 g/mol
LogP-0.34
Rot. Bonds2

About 3-amino-2,2-difluoropropanoic acid

3-amino-2,2-difluoropropanoic acid (PubChem CID 2756405) has the molecular formula C3H5F2NO2 and a molecular weight of 125.07 g/mol. Its IUPAC name is 3-amino-2,2-difluoropropanoic acid.

Molecular Properties

Compound Name3-amino-2,2-difluoropropanoic acid
PubChem CID2756405
Molecular FormulaC3H5F2NO2
Molecular Weight125.07 g/mol
Exact Mass125.03
IUPAC Name3-amino-2,2-difluoropropanoic acid
SMILESNCC(F)(F)C(=O)O
InChIInChI=1S/C3H5F2NO2/c4-3(5,1-6)2(7)8/h1,6H2,(H,7,8)
InChIKeyOEXAUVBPMONLBF-UHFFFAOYSA-N
XLogP-0.34
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.07
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2-difluoropropanoic acid?
The IUPAC name of 3-amino-2,2-difluoropropanoic acid (CID 2756405) is 3-amino-2,2-difluoropropanoic acid.
What is the SMILES notation for 3-amino-2,2-difluoropropanoic acid?
The canonical SMILES for 3-amino-2,2-difluoropropanoic acid is NCC(F)(F)C(=O)O.
What is the InChIKey of 3-amino-2,2-difluoropropanoic acid?
The InChIKey is OEXAUVBPMONLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5F2NO2/c4-3(5,1-6)2(7)8/h1,6H2,(H,7,8).
What are the key properties of 3-amino-2,2-difluoropropanoic acid?
3-amino-2,2-difluoropropanoic acid has a molecular weight of 125.07 g/mol, XLogP of -0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2-difluoropropanoic acid is sourced from PubChem (CID 2756405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).