methyl 3-amino-2,2-difluoropropanoate

C4H7F2NO2 — CID 22635306

IUPACmethyl 3-amino-2,2-difluoropropanoate
SMILESCOC(=O)C(F)(F)CN
InChIInChI=1S/C4H7F2NO2/c1-9-3(8)4(5,6)2-7/h2,7H2,1H3
InChIKeyPRKRSICPIDBGPW-UHFFFAOYSA-N
MW139.10 g/mol
LogP-0.25
Rot. Bonds2

About methyl 3-amino-2,2-difluoropropanoate

methyl 3-amino-2,2-difluoropropanoate (PubChem CID 22635306) has the molecular formula C4H7F2NO2 and a molecular weight of 139.10 g/mol. Its IUPAC name is methyl 3-amino-2,2-difluoropropanoate.

Molecular Properties

Compound Namemethyl 3-amino-2,2-difluoropropanoate
PubChem CID22635306
Molecular FormulaC4H7F2NO2
Molecular Weight139.10 g/mol
Exact Mass139.04
IUPAC Namemethyl 3-amino-2,2-difluoropropanoate
SMILESCOC(=O)C(F)(F)CN
InChIInChI=1S/C4H7F2NO2/c1-9-3(8)4(5,6)2-7/h2,7H2,1H3
InChIKeyPRKRSICPIDBGPW-UHFFFAOYSA-N
XLogP-0.25
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.10
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-2,2-difluoropropanoate?
The IUPAC name of methyl 3-amino-2,2-difluoropropanoate (CID 22635306) is methyl 3-amino-2,2-difluoropropanoate.
What is the SMILES notation for methyl 3-amino-2,2-difluoropropanoate?
The canonical SMILES for methyl 3-amino-2,2-difluoropropanoate is COC(=O)C(F)(F)CN.
What is the InChIKey of methyl 3-amino-2,2-difluoropropanoate?
The InChIKey is PRKRSICPIDBGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F2NO2/c1-9-3(8)4(5,6)2-7/h2,7H2,1H3.
What are the key properties of methyl 3-amino-2,2-difluoropropanoate?
methyl 3-amino-2,2-difluoropropanoate has a molecular weight of 139.10 g/mol, XLogP of -0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-2,2-difluoropropanoate is sourced from PubChem (CID 22635306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).