2-fluoroprop-2-enyl N-(2,2-dimethoxyethyl)-N-ethylcarbamate

C10H18FNO4 — CID 140944039

IUPAC2-fluoroprop-2-enyl N-(2,2-dimethoxyethyl)-N-ethylcarbamate
SMILESC=C(F)COC(=O)N(CC)CC(OC)OC
InChIInChI=1S/C10H18FNO4/c1-5-12(6-9(14-3)15-4)10(13)16-7-8(2)11/h9H,2,5-7H2,1,3-4H3
InChIKeyDFUAGKPPRJHTGD-UHFFFAOYSA-N
MW235.25 g/mol
LogP1.55
Rot. Bonds7

About 2-fluoroprop-2-enyl N-(2,2-dimethoxyethyl)-N-ethylcarbamate

2-fluoroprop-2-enyl N-(2,2-dimethoxyethyl)-N-ethylcarbamate (PubChem CID 140944039) has the molecular formula C10H18FNO4 and a molecular weight of 235.25 g/mol. Its IUPAC name is 2-fluoroprop-2-enyl N-(2,2-dimethoxyethyl)-N-ethylcarbamate.

Molecular Properties

Compound Name2-fluoroprop-2-enyl N-(2,2-dimethoxyethyl)-N-ethylcarbamate
PubChem CID140944039
Molecular FormulaC10H18FNO4
Molecular Weight235.25 g/mol
Exact Mass235.12
IUPAC Name2-fluoroprop-2-enyl N-(2,2-dimethoxyethyl)-N-ethylcarbamate
SMILESC=C(F)COC(=O)N(CC)CC(OC)OC
InChIInChI=1S/C10H18FNO4/c1-5-12(6-9(14-3)15-4)10(13)16-7-8(2)11/h9H,2,5-7H2,1,3-4H3
InChIKeyDFUAGKPPRJHTGD-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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Related Compounds

ethyl N-(2-fluoromethylallyl)-N-(2,2-dimethoxyethyl)carbamate
CID 19738525
Ethyl N-(2,2-dimethoxyethyl)-N-(2-fluoroallyl)-carbamate
CID 19738534
2,2-Dimethoxyethyl(2-fluoroprop-2-enyl)carbamic acid
CID 135346264
Prop-2-en-1-yl (2,2-dimethoxyethyl)ethylcarbamate
CID 71744151
Ethyl allyl(2,2-dimethoxyethyl)carbamate
CID 10943907
2-[Methyl(prop-2-enoxycarbonyl)amino]ethyl prop-2-enyl carbonate
CID 88478921
Prop-2-EN-1-YL N-(2,2-dimethoxyethyl)-N-(prop-2-EN-1-YL)carbamate
CID 156500412
but-3-en-2-yl N-(2,2-dimethoxyethyl)-N-ethylcarbamate
CID 175393012
prop-2-enyl N-(2,2-dimethoxyethyl)-N-methylcarbamate
CID 121605915

Frequently Asked Questions

What is the IUPAC name of 2-fluoroprop-2-enyl N-(2,2-dimethoxyethyl)-N-ethylcarbamate?
The IUPAC name of 2-fluoroprop-2-enyl N-(2,2-dimethoxyethyl)-N-ethylcarbamate (CID 140944039) is 2-fluoroprop-2-enyl N-(2,2-dimethoxyethyl)-N-ethylcarbamate.
What is the SMILES notation for 2-fluoroprop-2-enyl N-(2,2-dimethoxyethyl)-N-ethylcarbamate?
The canonical SMILES for 2-fluoroprop-2-enyl N-(2,2-dimethoxyethyl)-N-ethylcarbamate is C=C(F)COC(=O)N(CC)CC(OC)OC.
What is the InChIKey of 2-fluoroprop-2-enyl N-(2,2-dimethoxyethyl)-N-ethylcarbamate?
The InChIKey is DFUAGKPPRJHTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO4/c1-5-12(6-9(14-3)15-4)10(13)16-7-8(2)11/h9H,2,5-7H2,1,3-4H3.
What are the key properties of 2-fluoroprop-2-enyl N-(2,2-dimethoxyethyl)-N-ethylcarbamate?
2-fluoroprop-2-enyl N-(2,2-dimethoxyethyl)-N-ethylcarbamate 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 2-fluoroprop-2-enyl N-(2,2-dimethoxyethyl)-N-ethylcarbamate is sourced from PubChem (CID 140944039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).