[5-(4-fluorophenyl)-1,2-dimethylpyrrol-3-yl]methanol

C13H14FNO — CID 116828846

IUPAC[5-(4-fluorophenyl)-1,2-dimethylpyrrol-3-yl]methanol
SMILESCc1c(CO)cc(-c2ccc(F)cc2)n1C
InChIInChI=1S/C13H14FNO/c1-9-11(8-16)7-13(15(9)2)10-3-5-12(14)6-4-10/h3-7,16H,8H2,1-2H3
InChIKeyAHTUCCZCYXVATD-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.63
Rot. Bonds2

About [5-(4-fluorophenyl)-1,2-dimethylpyrrol-3-yl]methanol

[5-(4-fluorophenyl)-1,2-dimethylpyrrol-3-yl]methanol (PubChem CID 116828846) has the molecular formula C13H14FNO and a molecular weight of 219.26 g/mol. Its IUPAC name is [5-(4-fluorophenyl)-1,2-dimethylpyrrol-3-yl]methanol.

Molecular Properties

Compound Name[5-(4-fluorophenyl)-1,2-dimethylpyrrol-3-yl]methanol
PubChem CID116828846
Molecular FormulaC13H14FNO
Molecular Weight219.26 g/mol
Exact Mass219.11
IUPAC Name[5-(4-fluorophenyl)-1,2-dimethylpyrrol-3-yl]methanol
SMILESCc1c(CO)cc(-c2ccc(F)cc2)n1C
InChIInChI=1S/C13H14FNO/c1-9-11(8-16)7-13(15(9)2)10-3-5-12(14)6-4-10/h3-7,16H,8H2,1-2H3
InChIKeyAHTUCCZCYXVATD-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenyl)-1,2-dimethylpyrrol-3-yl]methanol?
The IUPAC name of [5-(4-fluorophenyl)-1,2-dimethylpyrrol-3-yl]methanol (CID 116828846) is [5-(4-fluorophenyl)-1,2-dimethylpyrrol-3-yl]methanol.
What is the SMILES notation for [5-(4-fluorophenyl)-1,2-dimethylpyrrol-3-yl]methanol?
The canonical SMILES for [5-(4-fluorophenyl)-1,2-dimethylpyrrol-3-yl]methanol is Cc1c(CO)cc(-c2ccc(F)cc2)n1C.
What is the InChIKey of [5-(4-fluorophenyl)-1,2-dimethylpyrrol-3-yl]methanol?
The InChIKey is AHTUCCZCYXVATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO/c1-9-11(8-16)7-13(15(9)2)10-3-5-12(14)6-4-10/h3-7,16H,8H2,1-2H3.
What are the key properties of [5-(4-fluorophenyl)-1,2-dimethylpyrrol-3-yl]methanol?
[5-(4-fluorophenyl)-1,2-dimethylpyrrol-3-yl]methanol has a molecular weight of 219.26 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluorophenyl)-1,2-dimethylpyrrol-3-yl]methanol is sourced from PubChem (CID 116828846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).