ethyl N-fluoro-N-prop-2-enylcarbamate

C6H10FNO2 — CID 88867877

IUPACethyl N-fluoro-N-prop-2-enylcarbamate
SMILESC=CCN(F)C(=O)OCC
InChIInChI=1S/C6H10FNO2/c1-3-5-8(7)6(9)10-4-2/h3H,1,4-5H2,2H3
InChIKeySDVOJRAXBDOILV-UHFFFAOYSA-N
MW147.15 g/mol
LogP1.52
Rot. Bonds3

About ethyl N-fluoro-N-prop-2-enylcarbamate

ethyl N-fluoro-N-prop-2-enylcarbamate (PubChem CID 88867877) has the molecular formula C6H10FNO2 and a molecular weight of 147.15 g/mol. Its IUPAC name is ethyl N-fluoro-N-prop-2-enylcarbamate.

Molecular Properties

Compound Nameethyl N-fluoro-N-prop-2-enylcarbamate
PubChem CID88867877
Molecular FormulaC6H10FNO2
Molecular Weight147.15 g/mol
Exact Mass147.07
IUPAC Nameethyl N-fluoro-N-prop-2-enylcarbamate
SMILESC=CCN(F)C(=O)OCC
InChIInChI=1S/C6H10FNO2/c1-3-5-8(7)6(9)10-4-2/h3H,1,4-5H2,2H3
InChIKeySDVOJRAXBDOILV-UHFFFAOYSA-N
XLogP1.52
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.15
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl N-fluoro-N-prop-2-enylcarbamate?
The IUPAC name of ethyl N-fluoro-N-prop-2-enylcarbamate (CID 88867877) is ethyl N-fluoro-N-prop-2-enylcarbamate.
What is the SMILES notation for ethyl N-fluoro-N-prop-2-enylcarbamate?
The canonical SMILES for ethyl N-fluoro-N-prop-2-enylcarbamate is C=CCN(F)C(=O)OCC.
What is the InChIKey of ethyl N-fluoro-N-prop-2-enylcarbamate?
The InChIKey is SDVOJRAXBDOILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FNO2/c1-3-5-8(7)6(9)10-4-2/h3H,1,4-5H2,2H3.
What are the key properties of ethyl N-fluoro-N-prop-2-enylcarbamate?
ethyl N-fluoro-N-prop-2-enylcarbamate has a molecular weight of 147.15 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-fluoro-N-prop-2-enylcarbamate is sourced from PubChem (CID 88867877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).