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

C7H9F3N2O — CID 106952531

IUPAC1-methyl-2-(3,3,3-trifluoropropyl)imidazol-4-ol
SMILESCn1cc(O)nc1CCC(F)(F)F
InChIInChI=1S/C7H9F3N2O/c1-12-4-6(13)11-5(12)2-3-7(8,9)10/h4,13H,2-3H2,1H3
InChIKeyVCNJECVNADJBKZ-UHFFFAOYSA-N
MW194.16 g/mol
LogP1.62
Rot. Bonds2

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

1-methyl-2-(3,3,3-trifluoropropyl)imidazol-4-ol (PubChem CID 106952531) has the molecular formula C7H9F3N2O and a molecular weight of 194.16 g/mol. Its IUPAC name is 1-methyl-2-(3,3,3-trifluoropropyl)imidazol-4-ol.

Molecular Properties

Compound Name1-methyl-2-(3,3,3-trifluoropropyl)imidazol-4-ol
PubChem CID106952531
Molecular FormulaC7H9F3N2O
Molecular Weight194.16 g/mol
Exact Mass194.07
IUPAC Name1-methyl-2-(3,3,3-trifluoropropyl)imidazol-4-ol
SMILESCn1cc(O)nc1CCC(F)(F)F
InChIInChI=1S/C7H9F3N2O/c1-12-4-6(13)11-5(12)2-3-7(8,9)10/h4,13H,2-3H2,1H3
InChIKeyVCNJECVNADJBKZ-UHFFFAOYSA-N
XLogP1.62
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 13615328
NoName_52
CID 26009888
1-methyl-1H-imidazol-4-ol
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3-methyl-2-propyl-1H-imidazol-3-ium-4-ol
CID 68445728
1-(1-Butylimidazol-2-yl)-2,2,2-trifluoroethanol
CID 16322149
2-Hydroxymethyl-1-(2,2,3,3-tetrafluoropropyl)imidazole
CID 20079583
3-amino-1,1,1-trifluoro-2-(1-methyl-1H-imidazol-2-yl)propan-2-ol
CID 45792137
2-Fluoro-3-methylimidazol-4-ol
CID 54409593
2-[1-(2,2,2-Trifluoroethyl)imidazol-2-yl]propan-2-ol
CID 91807504
1,2-Dimethyl-5-(trifluoromethoxy)imidazole
CID 118466146
1,2-Dimethyl-4-(trifluoromethoxy)imidazole
CID 118466330
(3-Ethyl-2-methylimidazol-4-yl) trifluoromethanesulfonate
CID 140041989

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(3,3,3-trifluoropropyl)imidazol-4-ol?
The IUPAC name of 1-methyl-2-(3,3,3-trifluoropropyl)imidazol-4-ol (CID 106952531) is 1-methyl-2-(3,3,3-trifluoropropyl)imidazol-4-ol.
What is the SMILES notation for 1-methyl-2-(3,3,3-trifluoropropyl)imidazol-4-ol?
The canonical SMILES for 1-methyl-2-(3,3,3-trifluoropropyl)imidazol-4-ol is Cn1cc(O)nc1CCC(F)(F)F.
What is the InChIKey of 1-methyl-2-(3,3,3-trifluoropropyl)imidazol-4-ol?
The InChIKey is VCNJECVNADJBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O/c1-12-4-6(13)11-5(12)2-3-7(8,9)10/h4,13H,2-3H2,1H3.
What are the key properties of 1-methyl-2-(3,3,3-trifluoropropyl)imidazol-4-ol?
1-methyl-2-(3,3,3-trifluoropropyl)imidazol-4-ol has a molecular weight of 194.16 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(3,3,3-trifluoropropyl)imidazol-4-ol is sourced from PubChem (CID 106952531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).