[3-(5,5,5-trifluoropentyl)imidazol-4-yl]methanol

C9H13F3N2O — CID 115522977

IUPAC[3-(5,5,5-trifluoropentyl)imidazol-4-yl]methanol
SMILESOCc1cncn1CCCCC(F)(F)F
InChIInChI=1S/C9H13F3N2O/c10-9(11,12)3-1-2-4-14-7-13-5-8(14)6-15/h5,7,15H,1-4,6H2
InChIKeyAWPZHCSUFCFIMF-UHFFFAOYSA-N
MW222.21 g/mol
LogP2.11
Rot. Bonds5

About [3-(5,5,5-trifluoropentyl)imidazol-4-yl]methanol

[3-(5,5,5-trifluoropentyl)imidazol-4-yl]methanol (PubChem CID 115522977) has the molecular formula C9H13F3N2O and a molecular weight of 222.21 g/mol. Its IUPAC name is [3-(5,5,5-trifluoropentyl)imidazol-4-yl]methanol.

Molecular Properties

Compound Name[3-(5,5,5-trifluoropentyl)imidazol-4-yl]methanol
PubChem CID115522977
Molecular FormulaC9H13F3N2O
Molecular Weight222.21 g/mol
Exact Mass222.10
IUPAC Name[3-(5,5,5-trifluoropentyl)imidazol-4-yl]methanol
SMILESOCc1cncn1CCCCC(F)(F)F
InChIInChI=1S/C9H13F3N2O/c10-9(11,12)3-1-2-4-14-7-13-5-8(14)6-15/h5,7,15H,1-4,6H2
InChIKeyAWPZHCSUFCFIMF-UHFFFAOYSA-N
XLogP2.11
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [3-(5,5,5-trifluoropentyl)imidazol-4-yl]methanol with MolForge

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

Launch Full Analysis

Related Compounds

3-[5-(hydroxymethyl)imidazol-1-yl]propan-1-ol
CID 22988642
1-[3-(5,5,5-trifluoropentyl)imidazol-4-yl]ethanamine
CID 114707019
N-[(3-ethylimidazol-4-yl)methyl]-4,4,4-trifluorobutan-1-amine
CID 115516463
[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]methanol
CID 114541583
N-[[3-(3,3,3-trifluoropropyl)imidazol-4-yl]methyl]cyclopropanamine
CID 66151603
3-[5-(hydroxymethyl)imidazol-1-yl]-N-methylpropanamide
CID 66150409
[3-[3-(N-methylanilino)propyl]imidazol-4-yl]methanol
CID 66149149
5-(chloromethyl)-1-(3-fluoropropyl)imidazole
CID 130504730
3-[5-(hydroxymethyl)imidazol-1-yl]-N-propylpropanamide
CID 66150619
N-[(3-butylimidazol-4-yl)methyl]ethanamine
CID 66146486
5,5,5-trifluoro-N-[(3-propan-2-ylimidazol-4-yl)methyl]pentan-1-amine
CID 113327104
3,3,3-trifluoro-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine
CID 66116451

Frequently Asked Questions

What is the IUPAC name of [3-(5,5,5-trifluoropentyl)imidazol-4-yl]methanol?
The IUPAC name of [3-(5,5,5-trifluoropentyl)imidazol-4-yl]methanol (CID 115522977) is [3-(5,5,5-trifluoropentyl)imidazol-4-yl]methanol.
What is the SMILES notation for [3-(5,5,5-trifluoropentyl)imidazol-4-yl]methanol?
The canonical SMILES for [3-(5,5,5-trifluoropentyl)imidazol-4-yl]methanol is OCc1cncn1CCCCC(F)(F)F.
What is the InChIKey of [3-(5,5,5-trifluoropentyl)imidazol-4-yl]methanol?
The InChIKey is AWPZHCSUFCFIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O/c10-9(11,12)3-1-2-4-14-7-13-5-8(14)6-15/h5,7,15H,1-4,6H2.
What are the key properties of [3-(5,5,5-trifluoropentyl)imidazol-4-yl]methanol?
[3-(5,5,5-trifluoropentyl)imidazol-4-yl]methanol has a molecular weight of 222.21 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5,5,5-trifluoropentyl)imidazol-4-yl]methanol is sourced from PubChem (CID 115522977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).