prop-2-enyl N-(2-fluoro-1-methoxyethyl)carbamate

C7H12FNO3 — CID 88603887

IUPACprop-2-enyl N-(2-fluoro-1-methoxyethyl)carbamate
SMILESC=CCOC(=O)NC(CF)OC
InChIInChI=1S/C7H12FNO3/c1-3-4-12-7(10)9-6(5-8)11-2/h3,6H,1,4-5H2,2H3,(H,9,10)
InChIKeyOGTQZNIDDHMMDQ-UHFFFAOYSA-N
MW177.17 g/mol
LogP0.84
Rot. Bonds5

About prop-2-enyl N-(2-fluoro-1-methoxyethyl)carbamate

prop-2-enyl N-(2-fluoro-1-methoxyethyl)carbamate (PubChem CID 88603887) has the molecular formula C7H12FNO3 and a molecular weight of 177.17 g/mol. Its IUPAC name is prop-2-enyl N-(2-fluoro-1-methoxyethyl)carbamate.

Molecular Properties

Compound Nameprop-2-enyl N-(2-fluoro-1-methoxyethyl)carbamate
PubChem CID88603887
Molecular FormulaC7H12FNO3
Molecular Weight177.17 g/mol
Exact Mass177.08
IUPAC Nameprop-2-enyl N-(2-fluoro-1-methoxyethyl)carbamate
SMILESC=CCOC(=O)NC(CF)OC
InChIInChI=1S/C7H12FNO3/c1-3-4-12-7(10)9-6(5-8)11-2/h3,6H,1,4-5H2,2H3,(H,9,10)
InChIKeyOGTQZNIDDHMMDQ-UHFFFAOYSA-N
XLogP0.84
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.17
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 prop-2-enyl N-(2-fluoro-1-methoxyethyl)carbamate?
The IUPAC name of prop-2-enyl N-(2-fluoro-1-methoxyethyl)carbamate (CID 88603887) is prop-2-enyl N-(2-fluoro-1-methoxyethyl)carbamate.
What is the SMILES notation for prop-2-enyl N-(2-fluoro-1-methoxyethyl)carbamate?
The canonical SMILES for prop-2-enyl N-(2-fluoro-1-methoxyethyl)carbamate is C=CCOC(=O)NC(CF)OC.
What is the InChIKey of prop-2-enyl N-(2-fluoro-1-methoxyethyl)carbamate?
The InChIKey is OGTQZNIDDHMMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO3/c1-3-4-12-7(10)9-6(5-8)11-2/h3,6H,1,4-5H2,2H3,(H,9,10).
What are the key properties of prop-2-enyl N-(2-fluoro-1-methoxyethyl)carbamate?
prop-2-enyl N-(2-fluoro-1-methoxyethyl)carbamate has a molecular weight of 177.17 g/mol, XLogP of 0.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-(2-fluoro-1-methoxyethyl)carbamate is sourced from PubChem (CID 88603887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).