2-(prop-2-enoylamino)ethyl hypofluorite

C5H8FNO2 — CID 145423545

IUPAC2-(prop-2-enoylamino)ethyl hypofluorite
SMILESC=CC(=O)NCCOF
InChIInChI=1S/C5H8FNO2/c1-2-5(8)7-3-4-9-6/h2H,1,3-4H2,(H,7,8)
InChIKeyPGHAJSCMFWQZAF-UHFFFAOYSA-N
MW133.12 g/mol
LogP0.19
Rot. Bonds4

About 2-(prop-2-enoylamino)ethyl hypofluorite

2-(prop-2-enoylamino)ethyl hypofluorite (PubChem CID 145423545) has the molecular formula C5H8FNO2 and a molecular weight of 133.12 g/mol. Its IUPAC name is 2-(prop-2-enoylamino)ethyl hypofluorite.

Molecular Properties

Compound Name2-(prop-2-enoylamino)ethyl hypofluorite
PubChem CID145423545
Molecular FormulaC5H8FNO2
Molecular Weight133.12 g/mol
Exact Mass133.05
IUPAC Name2-(prop-2-enoylamino)ethyl hypofluorite
SMILESC=CC(=O)NCCOF
InChIInChI=1S/C5H8FNO2/c1-2-5(8)7-3-4-9-6/h2H,1,3-4H2,(H,7,8)
InChIKeyPGHAJSCMFWQZAF-UHFFFAOYSA-N
XLogP0.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.12
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(prop-2-enoylamino)ethyl hypofluorite?
The IUPAC name of 2-(prop-2-enoylamino)ethyl hypofluorite (CID 145423545) is 2-(prop-2-enoylamino)ethyl hypofluorite.
What is the SMILES notation for 2-(prop-2-enoylamino)ethyl hypofluorite?
The canonical SMILES for 2-(prop-2-enoylamino)ethyl hypofluorite is C=CC(=O)NCCOF.
What is the InChIKey of 2-(prop-2-enoylamino)ethyl hypofluorite?
The InChIKey is PGHAJSCMFWQZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FNO2/c1-2-5(8)7-3-4-9-6/h2H,1,3-4H2,(H,7,8).
What are the key properties of 2-(prop-2-enoylamino)ethyl hypofluorite?
2-(prop-2-enoylamino)ethyl hypofluorite has a molecular weight of 133.12 g/mol, XLogP of 0.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(prop-2-enoylamino)ethyl hypofluorite is sourced from PubChem (CID 145423545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).