2-fluoro-1-(1H-pyrrol-2-yl)ethanone

C6H6FNO — CID 88913573

IUPAC2-fluoro-1-(1H-pyrrol-2-yl)ethanone
SMILESO=C(CF)c1ccc[nH]1
InChIInChI=1S/C6H6FNO/c7-4-6(9)5-2-1-3-8-5/h1-3,8H,4H2
InChIKeyUPDNRYANNQOXKS-UHFFFAOYSA-N
MW127.12 g/mol
LogP1.17
Rot. Bonds2

About 2-fluoro-1-(1H-pyrrol-2-yl)ethanone

2-fluoro-1-(1H-pyrrol-2-yl)ethanone (PubChem CID 88913573) has the molecular formula C6H6FNO and a molecular weight of 127.12 g/mol. Its IUPAC name is 2-fluoro-1-(1H-pyrrol-2-yl)ethanone.

Molecular Properties

Compound Name2-fluoro-1-(1H-pyrrol-2-yl)ethanone
PubChem CID88913573
Molecular FormulaC6H6FNO
Molecular Weight127.12 g/mol
Exact Mass127.04
IUPAC Name2-fluoro-1-(1H-pyrrol-2-yl)ethanone
SMILESO=C(CF)c1ccc[nH]1
InChIInChI=1S/C6H6FNO/c7-4-6(9)5-2-1-3-8-5/h1-3,8H,4H2
InChIKeyUPDNRYANNQOXKS-UHFFFAOYSA-N
XLogP1.17
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.12
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-(1H-pyrrol-2-yl)ethanone?
The IUPAC name of 2-fluoro-1-(1H-pyrrol-2-yl)ethanone (CID 88913573) is 2-fluoro-1-(1H-pyrrol-2-yl)ethanone.
What is the SMILES notation for 2-fluoro-1-(1H-pyrrol-2-yl)ethanone?
The canonical SMILES for 2-fluoro-1-(1H-pyrrol-2-yl)ethanone is O=C(CF)c1ccc[nH]1.
What is the InChIKey of 2-fluoro-1-(1H-pyrrol-2-yl)ethanone?
The InChIKey is UPDNRYANNQOXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FNO/c7-4-6(9)5-2-1-3-8-5/h1-3,8H,4H2.
What are the key properties of 2-fluoro-1-(1H-pyrrol-2-yl)ethanone?
2-fluoro-1-(1H-pyrrol-2-yl)ethanone has a molecular weight of 127.12 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-(1H-pyrrol-2-yl)ethanone is sourced from PubChem (CID 88913573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).