fluoromethyl N-prop-2-enoylcarbamate

C5H6FNO3 — CID 22568329

IUPACfluoromethyl N-prop-2-enoylcarbamate
SMILESC=CC(=O)NC(=O)OCF
InChIInChI=1S/C5H6FNO3/c1-2-4(8)7-5(9)10-3-6/h2H,1,3H2,(H,7,8,9)
InChIKeyNQPSXPAEWLDASI-UHFFFAOYSA-N
MW147.10 g/mol
LogP0.35
Rot. Bonds2

About fluoromethyl N-prop-2-enoylcarbamate

fluoromethyl N-prop-2-enoylcarbamate (PubChem CID 22568329) has the molecular formula C5H6FNO3 and a molecular weight of 147.10 g/mol. Its IUPAC name is fluoromethyl N-prop-2-enoylcarbamate.

Molecular Properties

Compound Namefluoromethyl N-prop-2-enoylcarbamate
PubChem CID22568329
Molecular FormulaC5H6FNO3
Molecular Weight147.10 g/mol
Exact Mass147.03
IUPAC Namefluoromethyl N-prop-2-enoylcarbamate
SMILESC=CC(=O)NC(=O)OCF
InChIInChI=1S/C5H6FNO3/c1-2-4(8)7-5(9)10-3-6/h2H,1,3H2,(H,7,8,9)
InChIKeyNQPSXPAEWLDASI-UHFFFAOYSA-N
XLogP0.35
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.10
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of fluoromethyl N-prop-2-enoylcarbamate?
The IUPAC name of fluoromethyl N-prop-2-enoylcarbamate (CID 22568329) is fluoromethyl N-prop-2-enoylcarbamate.
What is the SMILES notation for fluoromethyl N-prop-2-enoylcarbamate?
The canonical SMILES for fluoromethyl N-prop-2-enoylcarbamate is C=CC(=O)NC(=O)OCF.
What is the InChIKey of fluoromethyl N-prop-2-enoylcarbamate?
The InChIKey is NQPSXPAEWLDASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6FNO3/c1-2-4(8)7-5(9)10-3-6/h2H,1,3H2,(H,7,8,9).
What are the key properties of fluoromethyl N-prop-2-enoylcarbamate?
fluoromethyl N-prop-2-enoylcarbamate has a molecular weight of 147.10 g/mol, XLogP of 0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoromethyl N-prop-2-enoylcarbamate is sourced from PubChem (CID 22568329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).