1-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)imidazol-4-ol

C8H10F4N2O2 — CID 106952376

IUPAC1-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)imidazol-4-ol
SMILESCn1cc(O)nc1COCC(F)(F)C(F)F
InChIInChI=1S/C8H10F4N2O2/c1-14-2-6(15)13-5(14)3-16-4-8(11,12)7(9)10/h2,7,15H,3-4H2,1H3
InChIKeyJMZBSTMZMUGIOI-UHFFFAOYSA-N
MW242.17 g/mol
LogP1.54
Rot. Bonds5

About 1-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)imidazol-4-ol

1-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)imidazol-4-ol (PubChem CID 106952376) has the molecular formula C8H10F4N2O2 and a molecular weight of 242.17 g/mol. Its IUPAC name is 1-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)imidazol-4-ol.

Molecular Properties

Compound Name1-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)imidazol-4-ol
PubChem CID106952376
Molecular FormulaC8H10F4N2O2
Molecular Weight242.17 g/mol
Exact Mass242.07
IUPAC Name1-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)imidazol-4-ol
SMILESCn1cc(O)nc1COCC(F)(F)C(F)F
InChIInChI=1S/C8H10F4N2O2/c1-14-2-6(15)13-5(14)3-16-4-8(11,12)7(9)10/h2,7,15H,3-4H2,1H3
InChIKeyJMZBSTMZMUGIOI-UHFFFAOYSA-N
XLogP1.54
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.17
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)imidazol-4-ol?
The IUPAC name of 1-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)imidazol-4-ol (CID 106952376) is 1-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)imidazol-4-ol.
What is the SMILES notation for 1-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)imidazol-4-ol?
The canonical SMILES for 1-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)imidazol-4-ol is Cn1cc(O)nc1COCC(F)(F)C(F)F.
What is the InChIKey of 1-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)imidazol-4-ol?
The InChIKey is JMZBSTMZMUGIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F4N2O2/c1-14-2-6(15)13-5(14)3-16-4-8(11,12)7(9)10/h2,7,15H,3-4H2,1H3.
What are the key properties of 1-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)imidazol-4-ol?
1-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)imidazol-4-ol has a molecular weight of 242.17 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)imidazol-4-ol is sourced from PubChem (CID 106952376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).