2,2-difluoro-1-(3-propan-2-ylimidazol-4-yl)ethanol

C8H12F2N2O — CID 80605814

IUPAC2,2-difluoro-1-(3-propan-2-ylimidazol-4-yl)ethanol
SMILESCC(C)n1cncc1C(O)C(F)F
InChIInChI=1S/C8H12F2N2O/c1-5(2)12-4-11-3-6(12)7(13)8(9)10/h3-5,7-8,13H,1-2H3
InChIKeyCDWDSJVCWCHTEO-UHFFFAOYSA-N
MW190.19 g/mol
LogP1.76
Rot. Bonds3

About 2,2-difluoro-1-(3-propan-2-ylimidazol-4-yl)ethanol

2,2-difluoro-1-(3-propan-2-ylimidazol-4-yl)ethanol (PubChem CID 80605814) has the molecular formula C8H12F2N2O and a molecular weight of 190.19 g/mol. Its IUPAC name is 2,2-difluoro-1-(3-propan-2-ylimidazol-4-yl)ethanol.

Molecular Properties

Compound Name2,2-difluoro-1-(3-propan-2-ylimidazol-4-yl)ethanol
PubChem CID80605814
Molecular FormulaC8H12F2N2O
Molecular Weight190.19 g/mol
Exact Mass190.09
IUPAC Name2,2-difluoro-1-(3-propan-2-ylimidazol-4-yl)ethanol
SMILESCC(C)n1cncc1C(O)C(F)F
InChIInChI=1S/C8H12F2N2O/c1-5(2)12-4-11-3-6(12)7(13)8(9)10/h3-5,7-8,13H,1-2H3
InChIKeyCDWDSJVCWCHTEO-UHFFFAOYSA-N
XLogP1.76
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-(3-propan-2-ylimidazol-4-yl)ethanol?
The IUPAC name of 2,2-difluoro-1-(3-propan-2-ylimidazol-4-yl)ethanol (CID 80605814) is 2,2-difluoro-1-(3-propan-2-ylimidazol-4-yl)ethanol.
What is the SMILES notation for 2,2-difluoro-1-(3-propan-2-ylimidazol-4-yl)ethanol?
The canonical SMILES for 2,2-difluoro-1-(3-propan-2-ylimidazol-4-yl)ethanol is CC(C)n1cncc1C(O)C(F)F.
What is the InChIKey of 2,2-difluoro-1-(3-propan-2-ylimidazol-4-yl)ethanol?
The InChIKey is CDWDSJVCWCHTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2O/c1-5(2)12-4-11-3-6(12)7(13)8(9)10/h3-5,7-8,13H,1-2H3.
What are the key properties of 2,2-difluoro-1-(3-propan-2-ylimidazol-4-yl)ethanol?
2,2-difluoro-1-(3-propan-2-ylimidazol-4-yl)ethanol has a molecular weight of 190.19 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-(3-propan-2-ylimidazol-4-yl)ethanol is sourced from PubChem (CID 80605814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).