1-(3-ethylimidazol-4-yl)-2,2-difluoroethanol

C7H10F2N2O — CID 80605693

IUPAC1-(3-ethylimidazol-4-yl)-2,2-difluoroethanol
SMILESCCn1cncc1C(O)C(F)F
InChIInChI=1S/C7H10F2N2O/c1-2-11-4-10-3-5(11)6(12)7(8)9/h3-4,6-7,12H,2H2,1H3
InChIKeyVJNCYWWXPOZJTM-UHFFFAOYSA-N
MW176.17 g/mol
LogP1.20
Rot. Bonds3

About 1-(3-ethylimidazol-4-yl)-2,2-difluoroethanol

1-(3-ethylimidazol-4-yl)-2,2-difluoroethanol (PubChem CID 80605693) has the molecular formula C7H10F2N2O and a molecular weight of 176.17 g/mol. Its IUPAC name is 1-(3-ethylimidazol-4-yl)-2,2-difluoroethanol.

Molecular Properties

Compound Name1-(3-ethylimidazol-4-yl)-2,2-difluoroethanol
PubChem CID80605693
Molecular FormulaC7H10F2N2O
Molecular Weight176.17 g/mol
Exact Mass176.08
IUPAC Name1-(3-ethylimidazol-4-yl)-2,2-difluoroethanol
SMILESCCn1cncc1C(O)C(F)F
InChIInChI=1S/C7H10F2N2O/c1-2-11-4-10-3-5(11)6(12)7(8)9/h3-4,6-7,12H,2H2,1H3
InChIKeyVJNCYWWXPOZJTM-UHFFFAOYSA-N
XLogP1.20
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylimidazol-4-yl)-2,2-difluoroethanol?
The IUPAC name of 1-(3-ethylimidazol-4-yl)-2,2-difluoroethanol (CID 80605693) is 1-(3-ethylimidazol-4-yl)-2,2-difluoroethanol.
What is the SMILES notation for 1-(3-ethylimidazol-4-yl)-2,2-difluoroethanol?
The canonical SMILES for 1-(3-ethylimidazol-4-yl)-2,2-difluoroethanol is CCn1cncc1C(O)C(F)F.
What is the InChIKey of 1-(3-ethylimidazol-4-yl)-2,2-difluoroethanol?
The InChIKey is VJNCYWWXPOZJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N2O/c1-2-11-4-10-3-5(11)6(12)7(8)9/h3-4,6-7,12H,2H2,1H3.
What are the key properties of 1-(3-ethylimidazol-4-yl)-2,2-difluoroethanol?
1-(3-ethylimidazol-4-yl)-2,2-difluoroethanol has a molecular weight of 176.17 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylimidazol-4-yl)-2,2-difluoroethanol is sourced from PubChem (CID 80605693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).