3-amino-2,2-difluoropropanoic acid;hydrochloride

C3H6ClF2NO2 — CID 50998843

IUPAC3-amino-2,2-difluoropropanoic acid;hydrochloride
SMILESCl.NCC(F)(F)C(=O)O
InChIInChI=1S/C3H5F2NO2.ClH/c4-3(5,1-6)2(7)8;/h1,6H2,(H,7,8);1H
InChIKeyYYNGRYXSTNHZQA-UHFFFAOYSA-N
MW161.53 g/mol
LogP0.09
Rot. Bonds2

About 3-amino-2,2-difluoropropanoic acid;hydrochloride

3-amino-2,2-difluoropropanoic acid;hydrochloride (PubChem CID 50998843) has the molecular formula C3H6ClF2NO2 and a molecular weight of 161.53 g/mol. Its IUPAC name is 3-amino-2,2-difluoropropanoic acid;hydrochloride.

Molecular Properties

Compound Name3-amino-2,2-difluoropropanoic acid;hydrochloride
PubChem CID50998843
Molecular FormulaC3H6ClF2NO2
Molecular Weight161.53 g/mol
Exact Mass161.01
IUPAC Name3-amino-2,2-difluoropropanoic acid;hydrochloride
SMILESCl.NCC(F)(F)C(=O)O
InChIInChI=1S/C3H5F2NO2.ClH/c4-3(5,1-6)2(7)8;/h1,6H2,(H,7,8);1H
InChIKeyYYNGRYXSTNHZQA-UHFFFAOYSA-N
XLogP0.09
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.53
LogP ≤ 50.09
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;hydrochloride?
The IUPAC name of 3-amino-2,2-difluoropropanoic acid;hydrochloride (CID 50998843) is 3-amino-2,2-difluoropropanoic acid;hydrochloride.
What is the SMILES notation for 3-amino-2,2-difluoropropanoic acid;hydrochloride?
The canonical SMILES for 3-amino-2,2-difluoropropanoic acid;hydrochloride is Cl.NCC(F)(F)C(=O)O.
What is the InChIKey of 3-amino-2,2-difluoropropanoic acid;hydrochloride?
The InChIKey is YYNGRYXSTNHZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5F2NO2.ClH/c4-3(5,1-6)2(7)8;/h1,6H2,(H,7,8);1H.
What are the key properties of 3-amino-2,2-difluoropropanoic acid;hydrochloride?
3-amino-2,2-difluoropropanoic acid;hydrochloride has a molecular weight of 161.53 g/mol, XLogP of 0.09, 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;hydrochloride is sourced from PubChem (CID 50998843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).