3-(4-fluorophenyl)-1-(1-methylpyrrol-2-yl)propan-1-one

C14H14FNO — CID 163213477

IUPAC3-(4-fluorophenyl)-1-(1-methylpyrrol-2-yl)propan-1-one
SMILESCn1cccc1C(=O)CCc1ccc(F)cc1
InChIInChI=1S/C14H14FNO/c1-16-10-2-3-13(16)14(17)9-6-11-4-7-12(15)8-5-11/h2-5,7-8,10H,6,9H2,1H3
InChIKeyPRVNQQKVBURZMW-UHFFFAOYSA-N
MW231.27 g/mol
LogP2.98
Rot. Bonds4

About 3-(4-fluorophenyl)-1-(1-methylpyrrol-2-yl)propan-1-one

3-(4-fluorophenyl)-1-(1-methylpyrrol-2-yl)propan-1-one (PubChem CID 163213477) has the molecular formula C14H14FNO and a molecular weight of 231.27 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-(1-methylpyrrol-2-yl)propan-1-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-(1-methylpyrrol-2-yl)propan-1-one
PubChem CID163213477
Molecular FormulaC14H14FNO
Molecular Weight231.27 g/mol
Exact Mass231.11
IUPAC Name3-(4-fluorophenyl)-1-(1-methylpyrrol-2-yl)propan-1-one
SMILESCn1cccc1C(=O)CCc1ccc(F)cc1
InChIInChI=1S/C14H14FNO/c1-16-10-2-3-13(16)14(17)9-6-11-4-7-12(15)8-5-11/h2-5,7-8,10H,6,9H2,1H3
InChIKeyPRVNQQKVBURZMW-UHFFFAOYSA-N
XLogP2.98
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(4-fluorophenyl)-1-(1-methylpyrrol-2-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-(1-methylpyrrol-2-yl)propan-1-one?
The IUPAC name of 3-(4-fluorophenyl)-1-(1-methylpyrrol-2-yl)propan-1-one (CID 163213477) is 3-(4-fluorophenyl)-1-(1-methylpyrrol-2-yl)propan-1-one.
What is the SMILES notation for 3-(4-fluorophenyl)-1-(1-methylpyrrol-2-yl)propan-1-one?
The canonical SMILES for 3-(4-fluorophenyl)-1-(1-methylpyrrol-2-yl)propan-1-one is Cn1cccc1C(=O)CCc1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-1-(1-methylpyrrol-2-yl)propan-1-one?
The InChIKey is PRVNQQKVBURZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO/c1-16-10-2-3-13(16)14(17)9-6-11-4-7-12(15)8-5-11/h2-5,7-8,10H,6,9H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-1-(1-methylpyrrol-2-yl)propan-1-one?
3-(4-fluorophenyl)-1-(1-methylpyrrol-2-yl)propan-1-one has a molecular weight of 231.27 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-(1-methylpyrrol-2-yl)propan-1-one is sourced from PubChem (CID 163213477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).