3-fluoropropyl 2-[di(prop-2-enoyl)amino]acetate

C11H14FNO4 — CID 90727921

IUPAC3-fluoropropyl 2-[di(prop-2-enoyl)amino]acetate
SMILESC=CC(=O)N(CC(=O)OCCCF)C(=O)C=C
InChIInChI=1S/C11H14FNO4/c1-3-9(14)13(10(15)4-2)8-11(16)17-7-5-6-12/h3-4H,1-2,5-8H2
InChIKeyUWDATWKHHVKTBO-UHFFFAOYSA-N
MW243.23 g/mol
LogP0.62
Rot. Bonds7

About 3-fluoropropyl 2-[di(prop-2-enoyl)amino]acetate

3-fluoropropyl 2-[di(prop-2-enoyl)amino]acetate (PubChem CID 90727921) has the molecular formula C11H14FNO4 and a molecular weight of 243.23 g/mol. Its IUPAC name is 3-fluoropropyl 2-[di(prop-2-enoyl)amino]acetate.

Molecular Properties

Compound Name3-fluoropropyl 2-[di(prop-2-enoyl)amino]acetate
PubChem CID90727921
Molecular FormulaC11H14FNO4
Molecular Weight243.23 g/mol
Exact Mass243.09
IUPAC Name3-fluoropropyl 2-[di(prop-2-enoyl)amino]acetate
SMILESC=CC(=O)N(CC(=O)OCCCF)C(=O)C=C
InChIInChI=1S/C11H14FNO4/c1-3-9(14)13(10(15)4-2)8-11(16)17-7-5-6-12/h3-4H,1-2,5-8H2
InChIKeyUWDATWKHHVKTBO-UHFFFAOYSA-N
XLogP0.62
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Ethyl maleimidoacetate
CID 6539156
2-(2,5-Dioxopyrrol-1-yl)ethyl 2,2,2-trifluoroacetate
CID 57895406
3-Fluoropropyl 2-(2,5-dioxopyrrol-1-yl)acetate
CID 58788039
Ethyl 2-[2-fluoroprop-2-enoyl(propan-2-yl)amino]acetate
CID 170570630
Ethyl 2-[(2,2-difluoroacetyl)-prop-2-enylamino]acetate
CID 103514370
Ethyl 2-[prop-2-enyl-(2,2,2-trifluoroacetyl)amino]acetate
CID 115538850
2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethyl acetate
CID 11446725
2-Methoxyethyl 2-(2,5-dioxopyrrol-1-yl)acetate
CID 17857404
Propyl 2-(2,5-dioxopyrrol-1-yl)acetate
CID 21880412
Butyl 2-(2,5-dioxopyrrol-1-yl)acetate
CID 21880429
Ethyl 2-[methyl(prop-2-enoyl)amino]acetate
CID 54428018
2-[(2-Ethoxy-2-oxoethyl)-prop-2-enoylamino]acetic acid
CID 57322390

Frequently Asked Questions

What is the IUPAC name of 3-fluoropropyl 2-[di(prop-2-enoyl)amino]acetate?
The IUPAC name of 3-fluoropropyl 2-[di(prop-2-enoyl)amino]acetate (CID 90727921) is 3-fluoropropyl 2-[di(prop-2-enoyl)amino]acetate.
What is the SMILES notation for 3-fluoropropyl 2-[di(prop-2-enoyl)amino]acetate?
The canonical SMILES for 3-fluoropropyl 2-[di(prop-2-enoyl)amino]acetate is C=CC(=O)N(CC(=O)OCCCF)C(=O)C=C.
What is the InChIKey of 3-fluoropropyl 2-[di(prop-2-enoyl)amino]acetate?
The InChIKey is UWDATWKHHVKTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO4/c1-3-9(14)13(10(15)4-2)8-11(16)17-7-5-6-12/h3-4H,1-2,5-8H2.
What are the key properties of 3-fluoropropyl 2-[di(prop-2-enoyl)amino]acetate?
3-fluoropropyl 2-[di(prop-2-enoyl)amino]acetate has a molecular weight of 243.23 g/mol, XLogP of 0.62, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoropropyl 2-[di(prop-2-enoyl)amino]acetate is sourced from PubChem (CID 90727921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).