3-fluoro-1-pyrrol-1-ylpropan-1-one

C7H8FNO — CID 170121813

IUPAC3-fluoro-1-pyrrol-1-ylpropan-1-one
SMILESO=C(CCF)n1cccc1
InChIInChI=1S/C7H8FNO/c8-4-3-7(10)9-5-1-2-6-9/h1-2,5-6H,3-4H2
InChIKeyJIRLUFCVJAPQOL-UHFFFAOYSA-N
MW141.14 g/mol
LogP1.49
Rot. Bonds2

About 3-fluoro-1-pyrrol-1-ylpropan-1-one

3-fluoro-1-pyrrol-1-ylpropan-1-one (PubChem CID 170121813) has the molecular formula C7H8FNO and a molecular weight of 141.14 g/mol. Its IUPAC name is 3-fluoro-1-pyrrol-1-ylpropan-1-one.

Molecular Properties

Compound Name3-fluoro-1-pyrrol-1-ylpropan-1-one
PubChem CID170121813
Molecular FormulaC7H8FNO
Molecular Weight141.14 g/mol
Exact Mass141.06
IUPAC Name3-fluoro-1-pyrrol-1-ylpropan-1-one
SMILESO=C(CCF)n1cccc1
InChIInChI=1S/C7H8FNO/c8-4-3-7(10)9-5-1-2-6-9/h1-2,5-6H,3-4H2
InChIKeyJIRLUFCVJAPQOL-UHFFFAOYSA-N
XLogP1.49
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.14
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-pyrrol-1-ylpropan-1-one?
The IUPAC name of 3-fluoro-1-pyrrol-1-ylpropan-1-one (CID 170121813) is 3-fluoro-1-pyrrol-1-ylpropan-1-one.
What is the SMILES notation for 3-fluoro-1-pyrrol-1-ylpropan-1-one?
The canonical SMILES for 3-fluoro-1-pyrrol-1-ylpropan-1-one is O=C(CCF)n1cccc1.
What is the InChIKey of 3-fluoro-1-pyrrol-1-ylpropan-1-one?
The InChIKey is JIRLUFCVJAPQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNO/c8-4-3-7(10)9-5-1-2-6-9/h1-2,5-6H,3-4H2.
What are the key properties of 3-fluoro-1-pyrrol-1-ylpropan-1-one?
3-fluoro-1-pyrrol-1-ylpropan-1-one has a molecular weight of 141.14 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-pyrrol-1-ylpropan-1-one is sourced from PubChem (CID 170121813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).