2-(2-fluoropropan-2-yl)-1H-imidazol-5-ol

C6H9FN2O — CID 84762815

IUPAC2-(2-fluoropropan-2-yl)-1H-imidazol-5-ol
SMILESCC(C)(F)c1ncc(O)[nH]1
InChIInChI=1S/C6H9FN2O/c1-6(2,7)5-8-3-4(10)9-5/h3,10H,1-2H3,(H,8,9)
InChIKeyUOXPGTAVQKSNCN-UHFFFAOYSA-N
MW144.15 g/mol
LogP1.32
Rot. Bonds1

About 2-(2-fluoropropan-2-yl)-1H-imidazol-5-ol

2-(2-fluoropropan-2-yl)-1H-imidazol-5-ol (PubChem CID 84762815) has the molecular formula C6H9FN2O and a molecular weight of 144.15 g/mol. Its IUPAC name is 2-(2-fluoropropan-2-yl)-1H-imidazol-5-ol.

Molecular Properties

Compound Name2-(2-fluoropropan-2-yl)-1H-imidazol-5-ol
PubChem CID84762815
Molecular FormulaC6H9FN2O
Molecular Weight144.15 g/mol
Exact Mass144.07
IUPAC Name2-(2-fluoropropan-2-yl)-1H-imidazol-5-ol
SMILESCC(C)(F)c1ncc(O)[nH]1
InChIInChI=1S/C6H9FN2O/c1-6(2,7)5-8-3-4(10)9-5/h3,10H,1-2H3,(H,8,9)
InChIKeyUOXPGTAVQKSNCN-UHFFFAOYSA-N
XLogP1.32
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.15
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoropropan-2-yl)-1H-imidazol-5-ol?
The IUPAC name of 2-(2-fluoropropan-2-yl)-1H-imidazol-5-ol (CID 84762815) is 2-(2-fluoropropan-2-yl)-1H-imidazol-5-ol.
What is the SMILES notation for 2-(2-fluoropropan-2-yl)-1H-imidazol-5-ol?
The canonical SMILES for 2-(2-fluoropropan-2-yl)-1H-imidazol-5-ol is CC(C)(F)c1ncc(O)[nH]1.
What is the InChIKey of 2-(2-fluoropropan-2-yl)-1H-imidazol-5-ol?
The InChIKey is UOXPGTAVQKSNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FN2O/c1-6(2,7)5-8-3-4(10)9-5/h3,10H,1-2H3,(H,8,9).
What are the key properties of 2-(2-fluoropropan-2-yl)-1H-imidazol-5-ol?
2-(2-fluoropropan-2-yl)-1H-imidazol-5-ol has a molecular weight of 144.15 g/mol, XLogP of 1.32, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoropropan-2-yl)-1H-imidazol-5-ol is sourced from PubChem (CID 84762815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).