ethyl 2-(difluorocarbamoylamino)acetate

C5H8F2N2O3 — CID 23235558

IUPACethyl 2-(difluorocarbamoylamino)acetate
SMILESCCOC(=O)CNC(=O)N(F)F
InChIInChI=1S/C5H8F2N2O3/c1-2-12-4(10)3-8-5(11)9(6)7/h2-3H2,1H3,(H,8,11)
InChIKeyRXPSZNQMYXVHRX-UHFFFAOYSA-N
MW182.13 g/mol
LogP0.33
Rot. Bonds3

About ethyl 2-(difluorocarbamoylamino)acetate

ethyl 2-(difluorocarbamoylamino)acetate (PubChem CID 23235558) has the molecular formula C5H8F2N2O3 and a molecular weight of 182.13 g/mol. Its IUPAC name is ethyl 2-(difluorocarbamoylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(difluorocarbamoylamino)acetate
PubChem CID23235558
Molecular FormulaC5H8F2N2O3
Molecular Weight182.13 g/mol
Exact Mass182.05
IUPAC Nameethyl 2-(difluorocarbamoylamino)acetate
SMILESCCOC(=O)CNC(=O)N(F)F
InChIInChI=1S/C5H8F2N2O3/c1-2-12-4(10)3-8-5(11)9(6)7/h2-3H2,1H3,(H,8,11)
InChIKeyRXPSZNQMYXVHRX-UHFFFAOYSA-N
XLogP0.33
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.13
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

Ethyl hydantoate
CID 222535
Ethyl 2-{[(2-ethoxy-2-oxoethyl)carbamoyl]amino}acetate
CID 251730
ethyl 3,3,3-trifluoro-N-(methylcarbamoyl)alaninate
CID 3359082
N'-methoxycarbonylmethylurea
CID 13572150
Carbonyl-bis-glycin-athylester
CID 61205093
Ethyl 2-(2,2,2-trifluoroethylcarbamoylamino)acetate
CID 43384954
Acetic acid, (3-methylureido)-, ethyl ester
CID 251728
Ethyl 2-(dimethylcarbamoylamino)acetate
CID 350289
Methyl 2-[(2-methoxy-2-oxoethyl)carbamoylamino]acetate
CID 46197059
ethyl (2S)-3,3,3-trifluoro-2-(methylcarbamoylamino)propanoate
CID 40557702
ethyl (2R)-3,3,3-trifluoro-2-(methylcarbamoylamino)propanoate
CID 40557744
Ethyl 2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetate
CID 54948797

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(difluorocarbamoylamino)acetate?
The IUPAC name of ethyl 2-(difluorocarbamoylamino)acetate (CID 23235558) is ethyl 2-(difluorocarbamoylamino)acetate.
What is the SMILES notation for ethyl 2-(difluorocarbamoylamino)acetate?
The canonical SMILES for ethyl 2-(difluorocarbamoylamino)acetate is CCOC(=O)CNC(=O)N(F)F.
What is the InChIKey of ethyl 2-(difluorocarbamoylamino)acetate?
The InChIKey is RXPSZNQMYXVHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2N2O3/c1-2-12-4(10)3-8-5(11)9(6)7/h2-3H2,1H3,(H,8,11).
What are the key properties of ethyl 2-(difluorocarbamoylamino)acetate?
ethyl 2-(difluorocarbamoylamino)acetate has a molecular weight of 182.13 g/mol, XLogP of 0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(difluorocarbamoylamino)acetate is sourced from PubChem (CID 23235558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).