[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methanol

C13H14FNO — CID 900403

IUPAC[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methanol
SMILESCc1cc(CO)c(C)n1-c1ccccc1F
InChIInChI=1S/C13H14FNO/c1-9-7-11(8-16)10(2)15(9)13-6-4-3-5-12(13)14/h3-7,16H,8H2,1-2H3
InChIKeyFNHHPNKGIUSJRW-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.73
Rot. Bonds2

About [1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methanol

[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methanol (PubChem CID 900403) has the molecular formula C13H14FNO and a molecular weight of 219.26 g/mol. Its IUPAC name is [1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methanol.

Molecular Properties

Compound Name[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methanol
PubChem CID900403
Molecular FormulaC13H14FNO
Molecular Weight219.26 g/mol
Exact Mass219.11
IUPAC Name[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methanol
SMILESCc1cc(CO)c(C)n1-c1ccccc1F
InChIInChI=1S/C13H14FNO/c1-9-7-11(8-16)10(2)15(9)13-6-4-3-5-12(13)14/h3-7,16H,8H2,1-2H3
InChIKeyFNHHPNKGIUSJRW-UHFFFAOYSA-N
XLogP2.73
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methanol?
The IUPAC name of [1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methanol (CID 900403) is [1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methanol.
What is the SMILES notation for [1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methanol?
The canonical SMILES for [1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methanol is Cc1cc(CO)c(C)n1-c1ccccc1F.
What is the InChIKey of [1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methanol?
The InChIKey is FNHHPNKGIUSJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO/c1-9-7-11(8-16)10(2)15(9)13-6-4-3-5-12(13)14/h3-7,16H,8H2,1-2H3.
What are the key properties of [1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methanol?
[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methanol has a molecular weight of 219.26 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methanol is sourced from PubChem (CID 900403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).