1H-pyrrole-3-carbonyl fluoride

C5H4FNO — CID 119092408

IUPAC1H-pyrrole-3-carbonyl fluoride
SMILESO=C(F)c1cc[nH]c1
InChIInChI=1S/C5H4FNO/c6-5(8)4-1-2-7-3-4/h1-3,7H
InChIKeyNFIVVAILFJVYDJ-UHFFFAOYSA-N
MW113.09 g/mol
LogP1.12
Rot. Bonds1

About 1H-pyrrole-3-carbonyl fluoride

1H-pyrrole-3-carbonyl fluoride (PubChem CID 119092408) has the molecular formula C5H4FNO and a molecular weight of 113.09 g/mol. Its IUPAC name is 1H-pyrrole-3-carbonyl fluoride.

Molecular Properties

Compound Name1H-pyrrole-3-carbonyl fluoride
PubChem CID119092408
Molecular FormulaC5H4FNO
Molecular Weight113.09 g/mol
Exact Mass113.03
IUPAC Name1H-pyrrole-3-carbonyl fluoride
SMILESO=C(F)c1cc[nH]c1
InChIInChI=1S/C5H4FNO/c6-5(8)4-1-2-7-3-4/h1-3,7H
InChIKeyNFIVVAILFJVYDJ-UHFFFAOYSA-N
XLogP1.12
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.09
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 45076181
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CID 57831983
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CID 130734564
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Frequently Asked Questions

What is the IUPAC name of 1H-pyrrole-3-carbonyl fluoride?
The IUPAC name of 1H-pyrrole-3-carbonyl fluoride (CID 119092408) is 1H-pyrrole-3-carbonyl fluoride.
What is the SMILES notation for 1H-pyrrole-3-carbonyl fluoride?
The canonical SMILES for 1H-pyrrole-3-carbonyl fluoride is O=C(F)c1cc[nH]c1.
What is the InChIKey of 1H-pyrrole-3-carbonyl fluoride?
The InChIKey is NFIVVAILFJVYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4FNO/c6-5(8)4-1-2-7-3-4/h1-3,7H.
What are the key properties of 1H-pyrrole-3-carbonyl fluoride?
1H-pyrrole-3-carbonyl fluoride has a molecular weight of 113.09 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrrole-3-carbonyl fluoride is sourced from PubChem (CID 119092408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).