(3-ethyl-5-fluoroimidazol-4-yl)methanol

C6H9FN2O — CID 172593332

IUPAC(3-ethyl-5-fluoroimidazol-4-yl)methanol
SMILESCCn1cnc(F)c1CO
InChIInChI=1S/C6H9FN2O/c1-2-9-4-8-6(7)5(9)3-10/h4,10H,2-3H2,1H3
InChIKeyGKSJWFISVYAHMP-UHFFFAOYSA-N
MW144.15 g/mol
LogP0.53
Rot. Bonds2

About (3-ethyl-5-fluoroimidazol-4-yl)methanol

(3-ethyl-5-fluoroimidazol-4-yl)methanol (PubChem CID 172593332) has the molecular formula C6H9FN2O and a molecular weight of 144.15 g/mol. Its IUPAC name is (3-ethyl-5-fluoroimidazol-4-yl)methanol.

Molecular Properties

Compound Name(3-ethyl-5-fluoroimidazol-4-yl)methanol
PubChem CID172593332
Molecular FormulaC6H9FN2O
Molecular Weight144.15 g/mol
Exact Mass144.07
IUPAC Name(3-ethyl-5-fluoroimidazol-4-yl)methanol
SMILESCCn1cnc(F)c1CO
InChIInChI=1S/C6H9FN2O/c1-2-9-4-8-6(7)5(9)3-10/h4,10H,2-3H2,1H3
InChIKeyGKSJWFISVYAHMP-UHFFFAOYSA-N
XLogP0.53
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.15
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-ethyl-5-fluoroimidazol-4-yl)methanol?
The IUPAC name of (3-ethyl-5-fluoroimidazol-4-yl)methanol (CID 172593332) is (3-ethyl-5-fluoroimidazol-4-yl)methanol.
What is the SMILES notation for (3-ethyl-5-fluoroimidazol-4-yl)methanol?
The canonical SMILES for (3-ethyl-5-fluoroimidazol-4-yl)methanol is CCn1cnc(F)c1CO.
What is the InChIKey of (3-ethyl-5-fluoroimidazol-4-yl)methanol?
The InChIKey is GKSJWFISVYAHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FN2O/c1-2-9-4-8-6(7)5(9)3-10/h4,10H,2-3H2,1H3.
What are the key properties of (3-ethyl-5-fluoroimidazol-4-yl)methanol?
(3-ethyl-5-fluoroimidazol-4-yl)methanol has a molecular weight of 144.15 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-5-fluoroimidazol-4-yl)methanol is sourced from PubChem (CID 172593332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).