1-(3-fluoro-1H-pyrrol-2-yl)-2-methylpropan-1-one

C8H10FNO — CID 89177795

IUPAC1-(3-fluoro-1H-pyrrol-2-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)c1[nH]ccc1F
InChIInChI=1S/C8H10FNO/c1-5(2)8(11)7-6(9)3-4-10-7/h3-5,10H,1-2H3
InChIKeyYUFGVAKSLZHTQL-UHFFFAOYSA-N
MW155.17 g/mol
LogP1.99
Rot. Bonds2

About 1-(3-fluoro-1H-pyrrol-2-yl)-2-methylpropan-1-one

1-(3-fluoro-1H-pyrrol-2-yl)-2-methylpropan-1-one (PubChem CID 89177795) has the molecular formula C8H10FNO and a molecular weight of 155.17 g/mol. Its IUPAC name is 1-(3-fluoro-1H-pyrrol-2-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(3-fluoro-1H-pyrrol-2-yl)-2-methylpropan-1-one
PubChem CID89177795
Molecular FormulaC8H10FNO
Molecular Weight155.17 g/mol
Exact Mass155.07
IUPAC Name1-(3-fluoro-1H-pyrrol-2-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)c1[nH]ccc1F
InChIInChI=1S/C8H10FNO/c1-5(2)8(11)7-6(9)3-4-10-7/h3-5,10H,1-2H3
InChIKeyYUFGVAKSLZHTQL-UHFFFAOYSA-N
XLogP1.99
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.17
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-1H-pyrrol-2-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(3-fluoro-1H-pyrrol-2-yl)-2-methylpropan-1-one (CID 89177795) is 1-(3-fluoro-1H-pyrrol-2-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(3-fluoro-1H-pyrrol-2-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(3-fluoro-1H-pyrrol-2-yl)-2-methylpropan-1-one is CC(C)C(=O)c1[nH]ccc1F.
What is the InChIKey of 1-(3-fluoro-1H-pyrrol-2-yl)-2-methylpropan-1-one?
The InChIKey is YUFGVAKSLZHTQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO/c1-5(2)8(11)7-6(9)3-4-10-7/h3-5,10H,1-2H3.
What are the key properties of 1-(3-fluoro-1H-pyrrol-2-yl)-2-methylpropan-1-one?
1-(3-fluoro-1H-pyrrol-2-yl)-2-methylpropan-1-one has a molecular weight of 155.17 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-1H-pyrrol-2-yl)-2-methylpropan-1-one is sourced from PubChem (CID 89177795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).