ethyl 3-[(2,2-difluoroacetyl)amino]propanoate

C7H11F2NO3 — CID 103514348

IUPACethyl 3-[(2,2-difluoroacetyl)amino]propanoate
SMILESCCOC(=O)CCNC(=O)C(F)F
InChIInChI=1S/C7H11F2NO3/c1-2-13-5(11)3-4-10-7(12)6(8)9/h6H,2-4H2,1H3,(H,10,12)
InChIKeyFHJZEZDELRDTDA-UHFFFAOYSA-N
MW195.16 g/mol
LogP0.32
Rot. Bonds5

About ethyl 3-[(2,2-difluoroacetyl)amino]propanoate

ethyl 3-[(2,2-difluoroacetyl)amino]propanoate (PubChem CID 103514348) has the molecular formula C7H11F2NO3 and a molecular weight of 195.16 g/mol. Its IUPAC name is ethyl 3-[(2,2-difluoroacetyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(2,2-difluoroacetyl)amino]propanoate
PubChem CID103514348
Molecular FormulaC7H11F2NO3
Molecular Weight195.16 g/mol
Exact Mass195.07
IUPAC Nameethyl 3-[(2,2-difluoroacetyl)amino]propanoate
SMILESCCOC(=O)CCNC(=O)C(F)F
InChIInChI=1S/C7H11F2NO3/c1-2-13-5(11)3-4-10-7(12)6(8)9/h6H,2-4H2,1H3,(H,10,12)
InChIKeyFHJZEZDELRDTDA-UHFFFAOYSA-N
XLogP0.32
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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 3-[(2,2-difluoroacetyl)amino]propanoate?
The IUPAC name of ethyl 3-[(2,2-difluoroacetyl)amino]propanoate (CID 103514348) is ethyl 3-[(2,2-difluoroacetyl)amino]propanoate.
What is the SMILES notation for ethyl 3-[(2,2-difluoroacetyl)amino]propanoate?
The canonical SMILES for ethyl 3-[(2,2-difluoroacetyl)amino]propanoate is CCOC(=O)CCNC(=O)C(F)F.
What is the InChIKey of ethyl 3-[(2,2-difluoroacetyl)amino]propanoate?
The InChIKey is FHJZEZDELRDTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO3/c1-2-13-5(11)3-4-10-7(12)6(8)9/h6H,2-4H2,1H3,(H,10,12).
What are the key properties of ethyl 3-[(2,2-difluoroacetyl)amino]propanoate?
ethyl 3-[(2,2-difluoroacetyl)amino]propanoate has a molecular weight of 195.16 g/mol, XLogP of 0.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(2,2-difluoroacetyl)amino]propanoate is sourced from PubChem (CID 103514348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).