ethyl 2-[(2,2-difluoroacetyl)amino]propanoate

C7H11F2NO3 — CID 103514337

IUPACethyl 2-[(2,2-difluoroacetyl)amino]propanoate
SMILESCCOC(=O)C(C)NC(=O)C(F)F
InChIInChI=1S/C7H11F2NO3/c1-3-13-7(12)4(2)10-6(11)5(8)9/h4-5H,3H2,1-2H3,(H,10,11)
InChIKeyIBVZOEPETIERAN-UHFFFAOYSA-N
MW195.16 g/mol
LogP0.32
Rot. Bonds4

About ethyl 2-[(2,2-difluoroacetyl)amino]propanoate

ethyl 2-[(2,2-difluoroacetyl)amino]propanoate (PubChem CID 103514337) has the molecular formula C7H11F2NO3 and a molecular weight of 195.16 g/mol. Its IUPAC name is ethyl 2-[(2,2-difluoroacetyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[(2,2-difluoroacetyl)amino]propanoate
PubChem CID103514337
Molecular FormulaC7H11F2NO3
Molecular Weight195.16 g/mol
Exact Mass195.07
IUPAC Nameethyl 2-[(2,2-difluoroacetyl)amino]propanoate
SMILESCCOC(=O)C(C)NC(=O)C(F)F
InChIInChI=1S/C7H11F2NO3/c1-3-13-7(12)4(2)10-6(11)5(8)9/h4-5H,3H2,1-2H3,(H,10,11)
InChIKeyIBVZOEPETIERAN-UHFFFAOYSA-N
XLogP0.32
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.16
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2,2-difluoroacetyl)amino]propanoate?
The IUPAC name of ethyl 2-[(2,2-difluoroacetyl)amino]propanoate (CID 103514337) is ethyl 2-[(2,2-difluoroacetyl)amino]propanoate.
What is the SMILES notation for ethyl 2-[(2,2-difluoroacetyl)amino]propanoate?
The canonical SMILES for ethyl 2-[(2,2-difluoroacetyl)amino]propanoate is CCOC(=O)C(C)NC(=O)C(F)F.
What is the InChIKey of ethyl 2-[(2,2-difluoroacetyl)amino]propanoate?
The InChIKey is IBVZOEPETIERAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO3/c1-3-13-7(12)4(2)10-6(11)5(8)9/h4-5H,3H2,1-2H3,(H,10,11).
What are the key properties of ethyl 2-[(2,2-difluoroacetyl)amino]propanoate?
ethyl 2-[(2,2-difluoroacetyl)amino]propanoate has a molecular weight of 195.16 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2,2-difluoroacetyl)amino]propanoate is sourced from PubChem (CID 103514337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).