1-(2,3-dimethylimidazol-4-yl)-2,2-difluoropropan-1-ol

C8H12F2N2O — CID 130641811

IUPAC1-(2,3-dimethylimidazol-4-yl)-2,2-difluoropropan-1-ol
SMILESCc1ncc(C(O)C(C)(F)F)n1C
InChIInChI=1S/C8H12F2N2O/c1-5-11-4-6(12(5)3)7(13)8(2,9)10/h4,7,13H,1-3H3
InChIKeyNUBWRFFXSWONIF-UHFFFAOYSA-N
MW190.19 g/mol
LogP1.42
Rot. Bonds2

About 1-(2,3-dimethylimidazol-4-yl)-2,2-difluoropropan-1-ol

1-(2,3-dimethylimidazol-4-yl)-2,2-difluoropropan-1-ol (PubChem CID 130641811) has the molecular formula C8H12F2N2O and a molecular weight of 190.19 g/mol. Its IUPAC name is 1-(2,3-dimethylimidazol-4-yl)-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name1-(2,3-dimethylimidazol-4-yl)-2,2-difluoropropan-1-ol
PubChem CID130641811
Molecular FormulaC8H12F2N2O
Molecular Weight190.19 g/mol
Exact Mass190.09
IUPAC Name1-(2,3-dimethylimidazol-4-yl)-2,2-difluoropropan-1-ol
SMILESCc1ncc(C(O)C(C)(F)F)n1C
InChIInChI=1S/C8H12F2N2O/c1-5-11-4-6(12(5)3)7(13)8(2,9)10/h4,7,13H,1-3H3
InChIKeyNUBWRFFXSWONIF-UHFFFAOYSA-N
XLogP1.42
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylimidazol-4-yl)-2,2-difluoropropan-1-ol?
The IUPAC name of 1-(2,3-dimethylimidazol-4-yl)-2,2-difluoropropan-1-ol (CID 130641811) is 1-(2,3-dimethylimidazol-4-yl)-2,2-difluoropropan-1-ol.
What is the SMILES notation for 1-(2,3-dimethylimidazol-4-yl)-2,2-difluoropropan-1-ol?
The canonical SMILES for 1-(2,3-dimethylimidazol-4-yl)-2,2-difluoropropan-1-ol is Cc1ncc(C(O)C(C)(F)F)n1C.
What is the InChIKey of 1-(2,3-dimethylimidazol-4-yl)-2,2-difluoropropan-1-ol?
The InChIKey is NUBWRFFXSWONIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2O/c1-5-11-4-6(12(5)3)7(13)8(2,9)10/h4,7,13H,1-3H3.
What are the key properties of 1-(2,3-dimethylimidazol-4-yl)-2,2-difluoropropan-1-ol?
1-(2,3-dimethylimidazol-4-yl)-2,2-difluoropropan-1-ol has a molecular weight of 190.19 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylimidazol-4-yl)-2,2-difluoropropan-1-ol is sourced from PubChem (CID 130641811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).