2-[1-(fluoromethyl)-5-propylimidazol-2-yl]ethanol

C9H15FN2O — CID 170194885

IUPAC2-[1-(fluoromethyl)-5-propylimidazol-2-yl]ethanol
SMILESCCCc1cnc(CCO)n1CF
InChIInChI=1S/C9H15FN2O/c1-2-3-8-6-11-9(4-5-13)12(8)7-10/h6,13H,2-5,7H2,1H3
InChIKeyJJRDSXUQCKFLAY-UHFFFAOYSA-N
MW186.23 g/mol
LogP1.30
Rot. Bonds5

About 2-[1-(fluoromethyl)-5-propylimidazol-2-yl]ethanol

2-[1-(fluoromethyl)-5-propylimidazol-2-yl]ethanol (PubChem CID 170194885) has the molecular formula C9H15FN2O and a molecular weight of 186.23 g/mol. Its IUPAC name is 2-[1-(fluoromethyl)-5-propylimidazol-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-(fluoromethyl)-5-propylimidazol-2-yl]ethanol
PubChem CID170194885
Molecular FormulaC9H15FN2O
Molecular Weight186.23 g/mol
Exact Mass186.12
IUPAC Name2-[1-(fluoromethyl)-5-propylimidazol-2-yl]ethanol
SMILESCCCc1cnc(CCO)n1CF
InChIInChI=1S/C9H15FN2O/c1-2-3-8-6-11-9(4-5-13)12(8)7-10/h6,13H,2-5,7H2,1H3
InChIKeyJJRDSXUQCKFLAY-UHFFFAOYSA-N
XLogP1.30
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.23
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(fluoromethyl)-5-propylimidazol-2-yl]ethanol?
The IUPAC name of 2-[1-(fluoromethyl)-5-propylimidazol-2-yl]ethanol (CID 170194885) is 2-[1-(fluoromethyl)-5-propylimidazol-2-yl]ethanol.
What is the SMILES notation for 2-[1-(fluoromethyl)-5-propylimidazol-2-yl]ethanol?
The canonical SMILES for 2-[1-(fluoromethyl)-5-propylimidazol-2-yl]ethanol is CCCc1cnc(CCO)n1CF.
What is the InChIKey of 2-[1-(fluoromethyl)-5-propylimidazol-2-yl]ethanol?
The InChIKey is JJRDSXUQCKFLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN2O/c1-2-3-8-6-11-9(4-5-13)12(8)7-10/h6,13H,2-5,7H2,1H3.
What are the key properties of 2-[1-(fluoromethyl)-5-propylimidazol-2-yl]ethanol?
2-[1-(fluoromethyl)-5-propylimidazol-2-yl]ethanol has a molecular weight of 186.23 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(fluoromethyl)-5-propylimidazol-2-yl]ethanol is sourced from PubChem (CID 170194885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).