ethyl 2-[2-fluoroprop-2-enoyl(propan-2-yl)amino]acetate

C10H16FNO3 — CID 170570630

IUPACethyl 2-[2-fluoroprop-2-enoyl(propan-2-yl)amino]acetate
SMILESC=C(F)C(=O)N(CC(=O)OCC)C(C)C
InChIInChI=1S/C10H16FNO3/c1-5-15-9(13)6-12(7(2)3)10(14)8(4)11/h7H,4-6H2,1-3H3
InChIKeyKYNUIWDNMNGRSJ-UHFFFAOYSA-N
MW217.24 g/mol
LogP1.27
Rot. Bonds5

About ethyl 2-[2-fluoroprop-2-enoyl(propan-2-yl)amino]acetate

ethyl 2-[2-fluoroprop-2-enoyl(propan-2-yl)amino]acetate (PubChem CID 170570630) has the molecular formula C10H16FNO3 and a molecular weight of 217.24 g/mol. Its IUPAC name is ethyl 2-[2-fluoroprop-2-enoyl(propan-2-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[2-fluoroprop-2-enoyl(propan-2-yl)amino]acetate
PubChem CID170570630
Molecular FormulaC10H16FNO3
Molecular Weight217.24 g/mol
Exact Mass217.11
IUPAC Nameethyl 2-[2-fluoroprop-2-enoyl(propan-2-yl)amino]acetate
SMILESC=C(F)C(=O)N(CC(=O)OCC)C(C)C
InChIInChI=1S/C10H16FNO3/c1-5-15-9(13)6-12(7(2)3)10(14)8(4)11/h7H,4-6H2,1-3H3
InChIKeyKYNUIWDNMNGRSJ-UHFFFAOYSA-N
XLogP1.27
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.24
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-fluoroprop-2-enoyl(propan-2-yl)amino]acetate?
The IUPAC name of ethyl 2-[2-fluoroprop-2-enoyl(propan-2-yl)amino]acetate (CID 170570630) is ethyl 2-[2-fluoroprop-2-enoyl(propan-2-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[2-fluoroprop-2-enoyl(propan-2-yl)amino]acetate?
The canonical SMILES for ethyl 2-[2-fluoroprop-2-enoyl(propan-2-yl)amino]acetate is C=C(F)C(=O)N(CC(=O)OCC)C(C)C.
What is the InChIKey of ethyl 2-[2-fluoroprop-2-enoyl(propan-2-yl)amino]acetate?
The InChIKey is KYNUIWDNMNGRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FNO3/c1-5-15-9(13)6-12(7(2)3)10(14)8(4)11/h7H,4-6H2,1-3H3.
What are the key properties of ethyl 2-[2-fluoroprop-2-enoyl(propan-2-yl)amino]acetate?
ethyl 2-[2-fluoroprop-2-enoyl(propan-2-yl)amino]acetate has a molecular weight of 217.24 g/mol, XLogP of 1.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-fluoroprop-2-enoyl(propan-2-yl)amino]acetate is sourced from PubChem (CID 170570630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).