1-[1-[(2-fluorophenyl)methyl]pyrrol-3-yl]-2-methylpropan-1-one

C15H16FNO — CID 79109445

IUPAC1-[1-[(2-fluorophenyl)methyl]pyrrol-3-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)c1ccn(Cc2ccccc2F)c1
InChIInChI=1S/C15H16FNO/c1-11(2)15(18)13-7-8-17(10-13)9-12-5-3-4-6-14(12)16/h3-8,10-11H,9H2,1-2H3
InChIKeyIGGBGYAGOGZNTN-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.51
Rot. Bonds4

About 1-[1-[(2-fluorophenyl)methyl]pyrrol-3-yl]-2-methylpropan-1-one

1-[1-[(2-fluorophenyl)methyl]pyrrol-3-yl]-2-methylpropan-1-one (PubChem CID 79109445) has the molecular formula C15H16FNO and a molecular weight of 245.30 g/mol. Its IUPAC name is 1-[1-[(2-fluorophenyl)methyl]pyrrol-3-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[1-[(2-fluorophenyl)methyl]pyrrol-3-yl]-2-methylpropan-1-one
PubChem CID79109445
Molecular FormulaC15H16FNO
Molecular Weight245.30 g/mol
Exact Mass245.12
IUPAC Name1-[1-[(2-fluorophenyl)methyl]pyrrol-3-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)c1ccn(Cc2ccccc2F)c1
InChIInChI=1S/C15H16FNO/c1-11(2)15(18)13-7-8-17(10-13)9-12-5-3-4-6-14(12)16/h3-8,10-11H,9H2,1-2H3
InChIKeyIGGBGYAGOGZNTN-UHFFFAOYSA-N
XLogP3.51
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[(5-chloro-2-fluorophenyl)methyl]pyrrol-3-yl]-2-methylpropan-1-one
CID 103047355
cyclopropyl-[1-[(2-fluorophenyl)methyl]pyrrol-3-yl]methanone
CID 79097570
2-methyl-1-[1-(quinolin-8-ylmethyl)pyrrol-3-yl]propan-1-one
CID 79108258
2-methyl-1-[1-[(2-methyl-3-nitrophenyl)methyl]pyrrol-3-yl]propan-1-one
CID 79109700
1-[1-[(2-fluorophenyl)methyl]pyrrol-3-yl]propan-1-amine
CID 79104946
1-[1-[(3-bromophenyl)methyl]pyrrol-3-yl]-2-methylpropan-1-one
CID 79108990
[1-[(2-fluorophenyl)methyl]pyrrol-3-yl]methanol
CID 66400172
1-[(2-chloro-3-fluorophenyl)methyl]pyrrole-3-carboxylic acid
CID 112652517
2-methyl-1-[1-(3-phenylprop-2-ynyl)pyrrol-3-yl]propan-1-one
CID 79108641
1-[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-3-yl]-2-methylpropan-1-one
CID 79108153
2-methyl-1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]propan-1-one
CID 79109764
2-methyl-1-[1-[(3-propan-2-ylimidazol-4-yl)methyl]pyrrol-3-yl]propan-1-one
CID 79108001

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-fluorophenyl)methyl]pyrrol-3-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[1-[(2-fluorophenyl)methyl]pyrrol-3-yl]-2-methylpropan-1-one (CID 79109445) is 1-[1-[(2-fluorophenyl)methyl]pyrrol-3-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[1-[(2-fluorophenyl)methyl]pyrrol-3-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[1-[(2-fluorophenyl)methyl]pyrrol-3-yl]-2-methylpropan-1-one is CC(C)C(=O)c1ccn(Cc2ccccc2F)c1.
What is the InChIKey of 1-[1-[(2-fluorophenyl)methyl]pyrrol-3-yl]-2-methylpropan-1-one?
The InChIKey is IGGBGYAGOGZNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO/c1-11(2)15(18)13-7-8-17(10-13)9-12-5-3-4-6-14(12)16/h3-8,10-11H,9H2,1-2H3.
What are the key properties of 1-[1-[(2-fluorophenyl)methyl]pyrrol-3-yl]-2-methylpropan-1-one?
1-[1-[(2-fluorophenyl)methyl]pyrrol-3-yl]-2-methylpropan-1-one has a molecular weight of 245.30 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-fluorophenyl)methyl]pyrrol-3-yl]-2-methylpropan-1-one is sourced from PubChem (CID 79109445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).