2,5-dihydro-1H-pyrrol-2-ylmethyl hypofluorite

C5H8FNO — CID 143406613

IUPAC2,5-dihydro-1H-pyrrol-2-ylmethyl hypofluorite
SMILESFOCC1C=CCN1
InChIInChI=1S/C5H8FNO/c6-8-4-5-2-1-3-7-5/h1-2,5,7H,3-4H2
InChIKeyPTVDANIAQLHASK-UHFFFAOYSA-N
MW117.12 g/mol
LogP0.42
Rot. Bonds2

About 2,5-dihydro-1H-pyrrol-2-ylmethyl hypofluorite

2,5-dihydro-1H-pyrrol-2-ylmethyl hypofluorite (PubChem CID 143406613) has the molecular formula C5H8FNO and a molecular weight of 117.12 g/mol. Its IUPAC name is 2,5-dihydro-1H-pyrrol-2-ylmethyl hypofluorite.

Molecular Properties

Compound Name2,5-dihydro-1H-pyrrol-2-ylmethyl hypofluorite
PubChem CID143406613
Molecular FormulaC5H8FNO
Molecular Weight117.12 g/mol
Exact Mass117.06
IUPAC Name2,5-dihydro-1H-pyrrol-2-ylmethyl hypofluorite
SMILESFOCC1C=CCN1
InChIInChI=1S/C5H8FNO/c6-8-4-5-2-1-3-7-5/h1-2,5,7H,3-4H2
InChIKeyPTVDANIAQLHASK-UHFFFAOYSA-N
XLogP0.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.12
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-dihydro-1H-pyrrol-2-ylmethyl hypofluorite?
The IUPAC name of 2,5-dihydro-1H-pyrrol-2-ylmethyl hypofluorite (CID 143406613) is 2,5-dihydro-1H-pyrrol-2-ylmethyl hypofluorite.
What is the SMILES notation for 2,5-dihydro-1H-pyrrol-2-ylmethyl hypofluorite?
The canonical SMILES for 2,5-dihydro-1H-pyrrol-2-ylmethyl hypofluorite is FOCC1C=CCN1.
What is the InChIKey of 2,5-dihydro-1H-pyrrol-2-ylmethyl hypofluorite?
The InChIKey is PTVDANIAQLHASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FNO/c6-8-4-5-2-1-3-7-5/h1-2,5,7H,3-4H2.
What are the key properties of 2,5-dihydro-1H-pyrrol-2-ylmethyl hypofluorite?
2,5-dihydro-1H-pyrrol-2-ylmethyl hypofluorite has a molecular weight of 117.12 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydro-1H-pyrrol-2-ylmethyl hypofluorite is sourced from PubChem (CID 143406613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).