methyl N-(2-fluoroprop-2-enyl)-N-(2-oxoethyl)carbamate

C7H10FNO3 — CID 19738545

IUPACmethyl N-(2-fluoroprop-2-enyl)-N-(2-oxoethyl)carbamate
SMILESC=C(F)CN(CC=O)C(=O)OC
InChIInChI=1S/C7H10FNO3/c1-6(8)5-9(3-4-10)7(11)12-2/h4H,1,3,5H2,2H3
InChIKeyPMCHPMXKPQOEDE-UHFFFAOYSA-N
MW175.16 g/mol
LogP0.74
Rot. Bonds4

About methyl N-(2-fluoroprop-2-enyl)-N-(2-oxoethyl)carbamate

methyl N-(2-fluoroprop-2-enyl)-N-(2-oxoethyl)carbamate (PubChem CID 19738545) has the molecular formula C7H10FNO3 and a molecular weight of 175.16 g/mol. Its IUPAC name is methyl N-(2-fluoroprop-2-enyl)-N-(2-oxoethyl)carbamate.

Molecular Properties

Compound Namemethyl N-(2-fluoroprop-2-enyl)-N-(2-oxoethyl)carbamate
PubChem CID19738545
Molecular FormulaC7H10FNO3
Molecular Weight175.16 g/mol
Exact Mass175.06
IUPAC Namemethyl N-(2-fluoroprop-2-enyl)-N-(2-oxoethyl)carbamate
SMILESC=C(F)CN(CC=O)C(=O)OC
InChIInChI=1S/C7H10FNO3/c1-6(8)5-9(3-4-10)7(11)12-2/h4H,1,3,5H2,2H3
InChIKeyPMCHPMXKPQOEDE-UHFFFAOYSA-N
XLogP0.74
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.16
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Ethyl N-(2-fluoromethylallyl)-N-(2-oxoethyl)carbamate
CID 19738514
Ethyl N-(2-fluoroallyl)-N-(2-oxoethyl)-carbamate
CID 19738527
N-(2-fluoroprop-2-enyl)-N-(2-oxoethyl)acetamide
CID 19738540
2-Fluoroprop-2-enyl(2-oxoethyl)carbamic acid
CID 135346463
Ethyl allyl(2-oxoethyl)carbamate
CID 11084330
N-(2-Methylprop-2-enyl)-N-(2-oxoethyl)-urethane
CID 15069992
ethyl N-[(E)-but-2-enyl]-N-(2-oxoethyl)carbamate
CID 15069995
methyl N-(2-oxoethyl)-N-prop-2-enylcarbamate
CID 17859923
methyl N-(2-methylprop-2-enyl)-N-(2-oxoethyl)carbamate
CID 19738499
methyl N-[(E)-but-2-enyl]-N-(2-oxoethyl)carbamate
CID 19738517
methyl N-(2-bromoprop-2-enyl)-N-(2-oxoethyl)carbamate
CID 19738529
methyl N-(2-chloroprop-2-enyl)-N-(2-oxoethyl)carbamate
CID 19738542

Frequently Asked Questions

What is the IUPAC name of methyl N-(2-fluoroprop-2-enyl)-N-(2-oxoethyl)carbamate?
The IUPAC name of methyl N-(2-fluoroprop-2-enyl)-N-(2-oxoethyl)carbamate (CID 19738545) is methyl N-(2-fluoroprop-2-enyl)-N-(2-oxoethyl)carbamate.
What is the SMILES notation for methyl N-(2-fluoroprop-2-enyl)-N-(2-oxoethyl)carbamate?
The canonical SMILES for methyl N-(2-fluoroprop-2-enyl)-N-(2-oxoethyl)carbamate is C=C(F)CN(CC=O)C(=O)OC.
What is the InChIKey of methyl N-(2-fluoroprop-2-enyl)-N-(2-oxoethyl)carbamate?
The InChIKey is PMCHPMXKPQOEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FNO3/c1-6(8)5-9(3-4-10)7(11)12-2/h4H,1,3,5H2,2H3.
What are the key properties of methyl N-(2-fluoroprop-2-enyl)-N-(2-oxoethyl)carbamate?
methyl N-(2-fluoroprop-2-enyl)-N-(2-oxoethyl)carbamate has a molecular weight of 175.16 g/mol, XLogP of 0.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2-fluoroprop-2-enyl)-N-(2-oxoethyl)carbamate is sourced from PubChem (CID 19738545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).