(5-fluoro-2-methyl-1H-pyrrol-3-yl)-(4-methylphenyl)methanone

C13H12FNO — CID 102584470

IUPAC(5-fluoro-2-methyl-1H-pyrrol-3-yl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2cc(F)[nH]c2C)cc1
InChIInChI=1S/C13H12FNO/c1-8-3-5-10(6-4-8)13(16)11-7-12(14)15-9(11)2/h3-7,15H,1-2H3
InChIKeyLARIOSNSAXFVNH-UHFFFAOYSA-N
MW217.24 g/mol
LogP3.00
Rot. Bonds2

About (5-fluoro-2-methyl-1H-pyrrol-3-yl)-(4-methylphenyl)methanone

(5-fluoro-2-methyl-1H-pyrrol-3-yl)-(4-methylphenyl)methanone (PubChem CID 102584470) has the molecular formula C13H12FNO and a molecular weight of 217.24 g/mol. Its IUPAC name is (5-fluoro-2-methyl-1H-pyrrol-3-yl)-(4-methylphenyl)methanone.

Molecular Properties

Compound Name(5-fluoro-2-methyl-1H-pyrrol-3-yl)-(4-methylphenyl)methanone
PubChem CID102584470
Molecular FormulaC13H12FNO
Molecular Weight217.24 g/mol
Exact Mass217.09
IUPAC Name(5-fluoro-2-methyl-1H-pyrrol-3-yl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2cc(F)[nH]c2C)cc1
InChIInChI=1S/C13H12FNO/c1-8-3-5-10(6-4-8)13(16)11-7-12(14)15-9(11)2/h3-7,15H,1-2H3
InChIKeyLARIOSNSAXFVNH-UHFFFAOYSA-N
XLogP3.00
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.24
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-methyl-1H-pyrrol-3-yl)-(4-methylphenyl)methanone?
The IUPAC name of (5-fluoro-2-methyl-1H-pyrrol-3-yl)-(4-methylphenyl)methanone (CID 102584470) is (5-fluoro-2-methyl-1H-pyrrol-3-yl)-(4-methylphenyl)methanone.
What is the SMILES notation for (5-fluoro-2-methyl-1H-pyrrol-3-yl)-(4-methylphenyl)methanone?
The canonical SMILES for (5-fluoro-2-methyl-1H-pyrrol-3-yl)-(4-methylphenyl)methanone is Cc1ccc(C(=O)c2cc(F)[nH]c2C)cc1.
What is the InChIKey of (5-fluoro-2-methyl-1H-pyrrol-3-yl)-(4-methylphenyl)methanone?
The InChIKey is LARIOSNSAXFVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO/c1-8-3-5-10(6-4-8)13(16)11-7-12(14)15-9(11)2/h3-7,15H,1-2H3.
What are the key properties of (5-fluoro-2-methyl-1H-pyrrol-3-yl)-(4-methylphenyl)methanone?
(5-fluoro-2-methyl-1H-pyrrol-3-yl)-(4-methylphenyl)methanone has a molecular weight of 217.24 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-methyl-1H-pyrrol-3-yl)-(4-methylphenyl)methanone is sourced from PubChem (CID 102584470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).