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

C13H13F2NO — CID 116828876

IUPAC[5-(2,5-difluorophenyl)-1,2-dimethylpyrrol-3-yl]methanol
SMILESCc1c(CO)cc(-c2cc(F)ccc2F)n1C
InChIInChI=1S/C13H13F2NO/c1-8-9(7-17)5-13(16(8)2)11-6-10(14)3-4-12(11)15/h3-6,17H,7H2,1-2H3
InChIKeyCVEOKEJTULFNJG-UHFFFAOYSA-N
MW237.25 g/mol
LogP2.77
Rot. Bonds2

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

[5-(2,5-difluorophenyl)-1,2-dimethylpyrrol-3-yl]methanol (PubChem CID 116828876) has the molecular formula C13H13F2NO and a molecular weight of 237.25 g/mol. Its IUPAC name is [5-(2,5-difluorophenyl)-1,2-dimethylpyrrol-3-yl]methanol.

Molecular Properties

Compound Name[5-(2,5-difluorophenyl)-1,2-dimethylpyrrol-3-yl]methanol
PubChem CID116828876
Molecular FormulaC13H13F2NO
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name[5-(2,5-difluorophenyl)-1,2-dimethylpyrrol-3-yl]methanol
SMILESCc1c(CO)cc(-c2cc(F)ccc2F)n1C
InChIInChI=1S/C13H13F2NO/c1-8-9(7-17)5-13(16(8)2)11-6-10(14)3-4-12(11)15/h3-6,17H,7H2,1-2H3
InChIKeyCVEOKEJTULFNJG-UHFFFAOYSA-N
XLogP2.77
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[5-(4-chlorophenyl)-1,2-dimethylpyrrol-3-yl]methanol
CID 116828847
5-(2,5-difluorophenyl)-1,2-dimethylpyrrole-3-carbonitrile
CID 116828593
3-(bromomethyl)-5-(2,5-difluorophenyl)-4-methyl-1,2,4-triazole
CID 115399895
5-(2,4-difluorophenyl)-1,2-dimethylpyrrole-3-carbonitrile
CID 116828603
[5-(2,5-difluorophenyl)-1-methylpyrazol-3-yl]methanethiol
CID 82159358
2-[5-(2,5-difluorophenyl)-1-methylpyrazol-3-yl]ethanamine
CID 82476618
(1,2-dimethyl-5-propan-2-ylpyrrol-3-yl)methanol
CID 116828836
[5-[(2,4-difluorophenyl)methyl]-4-methyl-1,2,4-triazol-3-yl]methanol
CID 113301765
2-(2,5-difluorophenyl)-5-methyl-1,3-oxazole
CID 172735636
[2-(2,4-dichlorophenyl)-5-fluorophenyl]methanol
CID 118807413
[2-(2-chloro-5-fluorophenyl)-4-fluorophenyl]methanol
CID 172653766
2-(2,5-difluorophenyl)-4-methylphenol
CID 83129807

Frequently Asked Questions

What is the IUPAC name of [5-(2,5-difluorophenyl)-1,2-dimethylpyrrol-3-yl]methanol?
The IUPAC name of [5-(2,5-difluorophenyl)-1,2-dimethylpyrrol-3-yl]methanol (CID 116828876) is [5-(2,5-difluorophenyl)-1,2-dimethylpyrrol-3-yl]methanol.
What is the SMILES notation for [5-(2,5-difluorophenyl)-1,2-dimethylpyrrol-3-yl]methanol?
The canonical SMILES for [5-(2,5-difluorophenyl)-1,2-dimethylpyrrol-3-yl]methanol is Cc1c(CO)cc(-c2cc(F)ccc2F)n1C.
What is the InChIKey of [5-(2,5-difluorophenyl)-1,2-dimethylpyrrol-3-yl]methanol?
The InChIKey is CVEOKEJTULFNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2NO/c1-8-9(7-17)5-13(16(8)2)11-6-10(14)3-4-12(11)15/h3-6,17H,7H2,1-2H3.
What are the key properties of [5-(2,5-difluorophenyl)-1,2-dimethylpyrrol-3-yl]methanol?
[5-(2,5-difluorophenyl)-1,2-dimethylpyrrol-3-yl]methanol has a molecular weight of 237.25 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,5-difluorophenyl)-1,2-dimethylpyrrol-3-yl]methanol is sourced from PubChem (CID 116828876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).