ethyl N-[2-(fluoromethyl)prop-2-enyl]-N-(2-oxoethyl)carbamate

C9H14FNO3 — CID 19738514

IUPACethyl N-[2-(fluoromethyl)prop-2-enyl]-N-(2-oxoethyl)carbamate
SMILESC=C(CF)CN(CC=O)C(=O)OCC
InChIInChI=1S/C9H14FNO3/c1-3-14-9(13)11(4-5-12)7-8(2)6-10/h5H,2-4,6-7H2,1H3
InChIKeyXRCAVACWDGYAJH-UHFFFAOYSA-N
MW203.21 g/mol
LogP1.17
Rot. Bonds6

About ethyl N-[2-(fluoromethyl)prop-2-enyl]-N-(2-oxoethyl)carbamate

ethyl N-[2-(fluoromethyl)prop-2-enyl]-N-(2-oxoethyl)carbamate (PubChem CID 19738514) has the molecular formula C9H14FNO3 and a molecular weight of 203.21 g/mol. Its IUPAC name is ethyl N-[2-(fluoromethyl)prop-2-enyl]-N-(2-oxoethyl)carbamate.

Molecular Properties

Compound Nameethyl N-[2-(fluoromethyl)prop-2-enyl]-N-(2-oxoethyl)carbamate
PubChem CID19738514
Molecular FormulaC9H14FNO3
Molecular Weight203.21 g/mol
Exact Mass203.10
IUPAC Nameethyl N-[2-(fluoromethyl)prop-2-enyl]-N-(2-oxoethyl)carbamate
SMILESC=C(CF)CN(CC=O)C(=O)OCC
InChIInChI=1S/C9H14FNO3/c1-3-14-9(13)11(4-5-12)7-8(2)6-10/h5H,2-4,6-7H2,1H3
InChIKeyXRCAVACWDGYAJH-UHFFFAOYSA-N
XLogP1.17
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(fluoromethyl)prop-2-enyl]-N-(2-oxoethyl)carbamate?
The IUPAC name of ethyl N-[2-(fluoromethyl)prop-2-enyl]-N-(2-oxoethyl)carbamate (CID 19738514) is ethyl N-[2-(fluoromethyl)prop-2-enyl]-N-(2-oxoethyl)carbamate.
What is the SMILES notation for ethyl N-[2-(fluoromethyl)prop-2-enyl]-N-(2-oxoethyl)carbamate?
The canonical SMILES for ethyl N-[2-(fluoromethyl)prop-2-enyl]-N-(2-oxoethyl)carbamate is C=C(CF)CN(CC=O)C(=O)OCC.
What is the InChIKey of ethyl N-[2-(fluoromethyl)prop-2-enyl]-N-(2-oxoethyl)carbamate?
The InChIKey is XRCAVACWDGYAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FNO3/c1-3-14-9(13)11(4-5-12)7-8(2)6-10/h5H,2-4,6-7H2,1H3.
What are the key properties of ethyl N-[2-(fluoromethyl)prop-2-enyl]-N-(2-oxoethyl)carbamate?
ethyl N-[2-(fluoromethyl)prop-2-enyl]-N-(2-oxoethyl)carbamate has a molecular weight of 203.21 g/mol, XLogP of 1.17, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(fluoromethyl)prop-2-enyl]-N-(2-oxoethyl)carbamate is sourced from PubChem (CID 19738514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).