1-(1-ethylimidazol-2-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-ol

C10H12F6N2O — CID 103312573

IUPAC1-(1-ethylimidazol-2-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-ol
SMILESCCn1ccnc1CC(O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H12F6N2O/c1-2-18-4-3-17-7(18)5-6(19)8(9(11,12)13)10(14,15)16/h3-4,6,8,19H,2,5H2,1H3
InChIKeyQMZGUERYAIXFPL-UHFFFAOYSA-N
MW290.21 g/mol
LogP2.55
Rot. Bonds4

About 1-(1-ethylimidazol-2-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-ol

1-(1-ethylimidazol-2-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-ol (PubChem CID 103312573) has the molecular formula C10H12F6N2O and a molecular weight of 290.21 g/mol. Its IUPAC name is 1-(1-ethylimidazol-2-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-ol.

Molecular Properties

Compound Name1-(1-ethylimidazol-2-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-ol
PubChem CID103312573
Molecular FormulaC10H12F6N2O
Molecular Weight290.21 g/mol
Exact Mass290.09
IUPAC Name1-(1-ethylimidazol-2-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-ol
SMILESCCn1ccnc1CC(O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H12F6N2O/c1-2-18-4-3-17-7(18)5-6(19)8(9(11,12)13)10(14,15)16/h3-4,6,8,19H,2,5H2,1H3
InChIKeyQMZGUERYAIXFPL-UHFFFAOYSA-N
XLogP2.55
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.21
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethylimidazol-2-yl)-3-methylpentan-2-ol
CID 79744876
3-(1-ethylimidazol-2-yl)-1,1,1-trifluoro-N-methylpropan-2-amine
CID 105009494
1-(2-ethyl-1,2,4-triazol-3-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-ol
CID 103312559
3-(1-ethylimidazol-2-yl)-2-hydroxypropanoic acid
CID 79744530
1-(3,5-difluorophenyl)-3-(1-ethylimidazol-2-yl)propan-2-ol
CID 79753096
(2R)-1-(1-ethylimidazol-2-yl)propan-2-amine
CID 92763393
2-(1-ethylimidazol-2-yl)-1-(2-fluorophenyl)ethanol
CID 79744598
3-(1-ethylimidazol-2-yl)-1,1-difluoro-N-methylpropan-2-amine
CID 103516863
1-(2,2-dimethylcyclopropyl)-2-(1-ethylimidazol-2-yl)ethanol
CID 107005397
2-(1-ethylimidazol-2-yl)-1-pyridin-2-ylethanol
CID 79743859
1-(2-tert-butylphenyl)-2-(1-ethylimidazol-2-yl)ethanol
CID 115819265
2-(1-ethylimidazol-2-yl)-1-(4-propylcyclohexyl)ethanol
CID 79752753

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylimidazol-2-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-ol?
The IUPAC name of 1-(1-ethylimidazol-2-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-ol (CID 103312573) is 1-(1-ethylimidazol-2-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-ol.
What is the SMILES notation for 1-(1-ethylimidazol-2-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-ol?
The canonical SMILES for 1-(1-ethylimidazol-2-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-ol is CCn1ccnc1CC(O)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-(1-ethylimidazol-2-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-ol?
The InChIKey is QMZGUERYAIXFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F6N2O/c1-2-18-4-3-17-7(18)5-6(19)8(9(11,12)13)10(14,15)16/h3-4,6,8,19H,2,5H2,1H3.
What are the key properties of 1-(1-ethylimidazol-2-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-ol?
1-(1-ethylimidazol-2-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-ol has a molecular weight of 290.21 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylimidazol-2-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-ol is sourced from PubChem (CID 103312573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).