ethyl N-(2,2-dimethoxyethyl)-N-(2-fluoroprop-2-enyl)carbamate

C10H18FNO4 — CID 19738534

IUPACethyl N-(2,2-dimethoxyethyl)-N-(2-fluoroprop-2-enyl)carbamate
SMILESC=C(F)CN(CC(OC)OC)C(=O)OCC
InChIInChI=1S/C10H18FNO4/c1-5-16-10(13)12(6-8(2)11)7-9(14-3)15-4/h9H,2,5-7H2,1,3-4H3
InChIKeyYMNXKSLRGPEGAH-UHFFFAOYSA-N
MW235.25 g/mol
LogP1.55
Rot. Bonds7

About ethyl N-(2,2-dimethoxyethyl)-N-(2-fluoroprop-2-enyl)carbamate

ethyl N-(2,2-dimethoxyethyl)-N-(2-fluoroprop-2-enyl)carbamate (PubChem CID 19738534) has the molecular formula C10H18FNO4 and a molecular weight of 235.25 g/mol. Its IUPAC name is ethyl N-(2,2-dimethoxyethyl)-N-(2-fluoroprop-2-enyl)carbamate.

Molecular Properties

Compound Nameethyl N-(2,2-dimethoxyethyl)-N-(2-fluoroprop-2-enyl)carbamate
PubChem CID19738534
Molecular FormulaC10H18FNO4
Molecular Weight235.25 g/mol
Exact Mass235.12
IUPAC Nameethyl N-(2,2-dimethoxyethyl)-N-(2-fluoroprop-2-enyl)carbamate
SMILESC=C(F)CN(CC(OC)OC)C(=O)OCC
InChIInChI=1S/C10H18FNO4/c1-5-16-10(13)12(6-8(2)11)7-9(14-3)15-4/h9H,2,5-7H2,1,3-4H3
InChIKeyYMNXKSLRGPEGAH-UHFFFAOYSA-N
XLogP1.55
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(2,2-dimethoxyethyl)-N-(2-fluoroprop-2-enyl)carbamate?
The IUPAC name of ethyl N-(2,2-dimethoxyethyl)-N-(2-fluoroprop-2-enyl)carbamate (CID 19738534) is ethyl N-(2,2-dimethoxyethyl)-N-(2-fluoroprop-2-enyl)carbamate.
What is the SMILES notation for ethyl N-(2,2-dimethoxyethyl)-N-(2-fluoroprop-2-enyl)carbamate?
The canonical SMILES for ethyl N-(2,2-dimethoxyethyl)-N-(2-fluoroprop-2-enyl)carbamate is C=C(F)CN(CC(OC)OC)C(=O)OCC.
What is the InChIKey of ethyl N-(2,2-dimethoxyethyl)-N-(2-fluoroprop-2-enyl)carbamate?
The InChIKey is YMNXKSLRGPEGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO4/c1-5-16-10(13)12(6-8(2)11)7-9(14-3)15-4/h9H,2,5-7H2,1,3-4H3.
What are the key properties of ethyl N-(2,2-dimethoxyethyl)-N-(2-fluoroprop-2-enyl)carbamate?
ethyl N-(2,2-dimethoxyethyl)-N-(2-fluoroprop-2-enyl)carbamate has a molecular weight of 235.25 g/mol, XLogP of 1.55, 7 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-fluoroprop-2-enyl)carbamate is sourced from PubChem (CID 19738534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).