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

C11H20FNO4 — CID 19738525

IUPACethyl N-(2,2-dimethoxyethyl)-N-[2-(fluoromethyl)prop-2-enyl]carbamate
SMILESC=C(CF)CN(CC(OC)OC)C(=O)OCC
InChIInChI=1S/C11H20FNO4/c1-5-17-11(14)13(7-9(2)6-12)8-10(15-3)16-4/h10H,2,5-8H2,1,3-4H3
InChIKeyKHMGIUMSYZCSDU-UHFFFAOYSA-N
MW249.28 g/mol
LogP1.59
Rot. Bonds8

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

ethyl N-(2,2-dimethoxyethyl)-N-[2-(fluoromethyl)prop-2-enyl]carbamate (PubChem CID 19738525) has the molecular formula C11H20FNO4 and a molecular weight of 249.28 g/mol. Its IUPAC name is ethyl N-(2,2-dimethoxyethyl)-N-[2-(fluoromethyl)prop-2-enyl]carbamate.

Molecular Properties

Compound Nameethyl N-(2,2-dimethoxyethyl)-N-[2-(fluoromethyl)prop-2-enyl]carbamate
PubChem CID19738525
Molecular FormulaC11H20FNO4
Molecular Weight249.28 g/mol
Exact Mass249.14
IUPAC Nameethyl N-(2,2-dimethoxyethyl)-N-[2-(fluoromethyl)prop-2-enyl]carbamate
SMILESC=C(CF)CN(CC(OC)OC)C(=O)OCC
InChIInChI=1S/C11H20FNO4/c1-5-17-11(14)13(7-9(2)6-12)8-10(15-3)16-4/h10H,2,5-8H2,1,3-4H3
InChIKeyKHMGIUMSYZCSDU-UHFFFAOYSA-N
XLogP1.59
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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-(2,2-dimethoxyethyl)-N-[2-(fluoromethyl)prop-2-enyl]carbamate?
The IUPAC name of ethyl N-(2,2-dimethoxyethyl)-N-[2-(fluoromethyl)prop-2-enyl]carbamate (CID 19738525) is ethyl N-(2,2-dimethoxyethyl)-N-[2-(fluoromethyl)prop-2-enyl]carbamate.
What is the SMILES notation for ethyl N-(2,2-dimethoxyethyl)-N-[2-(fluoromethyl)prop-2-enyl]carbamate?
The canonical SMILES for ethyl N-(2,2-dimethoxyethyl)-N-[2-(fluoromethyl)prop-2-enyl]carbamate is C=C(CF)CN(CC(OC)OC)C(=O)OCC.
What is the InChIKey of ethyl N-(2,2-dimethoxyethyl)-N-[2-(fluoromethyl)prop-2-enyl]carbamate?
The InChIKey is KHMGIUMSYZCSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNO4/c1-5-17-11(14)13(7-9(2)6-12)8-10(15-3)16-4/h10H,2,5-8H2,1,3-4H3.
What are the key properties of ethyl N-(2,2-dimethoxyethyl)-N-[2-(fluoromethyl)prop-2-enyl]carbamate?
ethyl N-(2,2-dimethoxyethyl)-N-[2-(fluoromethyl)prop-2-enyl]carbamate has a molecular weight of 249.28 g/mol, XLogP of 1.59, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(2,2-dimethoxyethyl)-N-[2-(fluoromethyl)prop-2-enyl]carbamate is sourced from PubChem (CID 19738525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).