3-[5-(3-fluorophenyl)-1H-pyrrol-2-yl]-1-phenylprop-2-yn-1-one

C19H12FNO — CID 134849659

IUPAC3-[5-(3-fluorophenyl)-1H-pyrrol-2-yl]-1-phenylprop-2-yn-1-one
SMILESO=C(C#Cc1ccc(-c2cccc(F)c2)[nH]1)c1ccccc1
InChIInChI=1S/C19H12FNO/c20-16-8-4-7-15(13-16)18-11-9-17(21-18)10-12-19(22)14-5-2-1-3-6-14/h1-9,11,13,21H
InChIKeyPQPIGVNFDCTPFD-UHFFFAOYSA-N
MW289.31 g/mol
LogP4.06
Rot. Bonds2

About 3-[5-(3-fluorophenyl)-1H-pyrrol-2-yl]-1-phenylprop-2-yn-1-one

3-[5-(3-fluorophenyl)-1H-pyrrol-2-yl]-1-phenylprop-2-yn-1-one (PubChem CID 134849659) has the molecular formula C19H12FNO and a molecular weight of 289.31 g/mol. Its IUPAC name is 3-[5-(3-fluorophenyl)-1H-pyrrol-2-yl]-1-phenylprop-2-yn-1-one.

Molecular Properties

Compound Name3-[5-(3-fluorophenyl)-1H-pyrrol-2-yl]-1-phenylprop-2-yn-1-one
PubChem CID134849659
Molecular FormulaC19H12FNO
Molecular Weight289.31 g/mol
Exact Mass289.09
IUPAC Name3-[5-(3-fluorophenyl)-1H-pyrrol-2-yl]-1-phenylprop-2-yn-1-one
SMILESO=C(C#Cc1ccc(-c2cccc(F)c2)[nH]1)c1ccccc1
InChIInChI=1S/C19H12FNO/c20-16-8-4-7-15(13-16)18-11-9-17(21-18)10-12-19(22)14-5-2-1-3-6-14/h1-9,11,13,21H
InChIKeyPQPIGVNFDCTPFD-UHFFFAOYSA-N
XLogP4.06
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-fluorophenyl)-1H-pyrrol-2-yl]-1-phenylprop-2-yn-1-one?
The IUPAC name of 3-[5-(3-fluorophenyl)-1H-pyrrol-2-yl]-1-phenylprop-2-yn-1-one (CID 134849659) is 3-[5-(3-fluorophenyl)-1H-pyrrol-2-yl]-1-phenylprop-2-yn-1-one.
What is the SMILES notation for 3-[5-(3-fluorophenyl)-1H-pyrrol-2-yl]-1-phenylprop-2-yn-1-one?
The canonical SMILES for 3-[5-(3-fluorophenyl)-1H-pyrrol-2-yl]-1-phenylprop-2-yn-1-one is O=C(C#Cc1ccc(-c2cccc(F)c2)[nH]1)c1ccccc1.
What is the InChIKey of 3-[5-(3-fluorophenyl)-1H-pyrrol-2-yl]-1-phenylprop-2-yn-1-one?
The InChIKey is PQPIGVNFDCTPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12FNO/c20-16-8-4-7-15(13-16)18-11-9-17(21-18)10-12-19(22)14-5-2-1-3-6-14/h1-9,11,13,21H.
What are the key properties of 3-[5-(3-fluorophenyl)-1H-pyrrol-2-yl]-1-phenylprop-2-yn-1-one?
3-[5-(3-fluorophenyl)-1H-pyrrol-2-yl]-1-phenylprop-2-yn-1-one has a molecular weight of 289.31 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-fluorophenyl)-1H-pyrrol-2-yl]-1-phenylprop-2-yn-1-one is sourced from PubChem (CID 134849659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).