2-fluoro-3-methylimidazol-4-ol

C4H5FN2O — CID 54409593

IUPAC2-fluoro-3-methylimidazol-4-ol
SMILESCn1c(O)cnc1F
InChIInChI=1S/C4H5FN2O/c1-7-3(8)2-6-4(7)5/h2,8H,1H3
InChIKeyVTDTVZXFGZRPII-UHFFFAOYSA-N
MW116.09 g/mol
LogP0.26
Rot. Bonds

About 2-fluoro-3-methylimidazol-4-ol

2-fluoro-3-methylimidazol-4-ol (PubChem CID 54409593) has the molecular formula C4H5FN2O and a molecular weight of 116.09 g/mol. Its IUPAC name is 2-fluoro-3-methylimidazol-4-ol.

Molecular Properties

Compound Name2-fluoro-3-methylimidazol-4-ol
PubChem CID54409593
Molecular FormulaC4H5FN2O
Molecular Weight116.09 g/mol
Exact Mass116.04
IUPAC Name2-fluoro-3-methylimidazol-4-ol
SMILESCn1c(O)cnc1F
InChIInChI=1S/C4H5FN2O/c1-7-3(8)2-6-4(7)5/h2,8H,1H3
InChIKeyVTDTVZXFGZRPII-UHFFFAOYSA-N
XLogP0.26
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.09
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methylimidazol-4-ol?
The IUPAC name of 2-fluoro-3-methylimidazol-4-ol (CID 54409593) is 2-fluoro-3-methylimidazol-4-ol.
What is the SMILES notation for 2-fluoro-3-methylimidazol-4-ol?
The canonical SMILES for 2-fluoro-3-methylimidazol-4-ol is Cn1c(O)cnc1F.
What is the InChIKey of 2-fluoro-3-methylimidazol-4-ol?
The InChIKey is VTDTVZXFGZRPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5FN2O/c1-7-3(8)2-6-4(7)5/h2,8H,1H3.
What are the key properties of 2-fluoro-3-methylimidazol-4-ol?
2-fluoro-3-methylimidazol-4-ol has a molecular weight of 116.09 g/mol, XLogP of 0.26, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methylimidazol-4-ol is sourced from PubChem (CID 54409593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).