4,4,4-trifluoro-1-(1-methylimidazol-2-yl)butan-1-ol

C8H11F3N2O — CID 79954074

IUPAC4,4,4-trifluoro-1-(1-methylimidazol-2-yl)butan-1-ol
SMILESCn1ccnc1C(O)CCC(F)(F)F
InChIInChI=1S/C8H11F3N2O/c1-13-5-4-12-7(13)6(14)2-3-8(9,10)11/h4-6,14H,2-3H2,1H3
InChIKeyWBVXVIIAAXYZIZ-UHFFFAOYSA-N
MW208.18 g/mol
LogP1.80
Rot. Bonds3

About 4,4,4-trifluoro-1-(1-methylimidazol-2-yl)butan-1-ol

4,4,4-trifluoro-1-(1-methylimidazol-2-yl)butan-1-ol (PubChem CID 79954074) has the molecular formula C8H11F3N2O and a molecular weight of 208.18 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-(1-methylimidazol-2-yl)butan-1-ol.

Molecular Properties

Compound Name4,4,4-trifluoro-1-(1-methylimidazol-2-yl)butan-1-ol
PubChem CID79954074
Molecular FormulaC8H11F3N2O
Molecular Weight208.18 g/mol
Exact Mass208.08
IUPAC Name4,4,4-trifluoro-1-(1-methylimidazol-2-yl)butan-1-ol
SMILESCn1ccnc1C(O)CCC(F)(F)F
InChIInChI=1S/C8H11F3N2O/c1-13-5-4-12-7(13)6(14)2-3-8(9,10)11/h4-6,14H,2-3H2,1H3
InChIKeyWBVXVIIAAXYZIZ-UHFFFAOYSA-N
XLogP1.80
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4,4,4-trifluoro-1-(1-methylimidazol-2-yl)butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,4,4-trifluoro-1-(1-methylimidazol-2-yl)butan-1-amine
CID 79952736
1-(1-methylimidazol-2-yl)-3-pyridin-4-ylpropan-1-ol
CID 105098837
4,4,4-trifluoro-N-[1-(1-methylimidazol-2-yl)ethyl]butan-1-amine
CID 115516455
1-(1-methylimidazol-2-yl)-3-(2-methylphenyl)propan-1-ol
CID 105098854
tert-butyl N-[(4R)-4-hydroxy-4-(1-methylimidazol-2-yl)butyl]carbamate
CID 131724444
2,2-dimethyl-1-(1-methylimidazol-2-yl)butan-1-ol
CID 115799884
imino-bis(trifluoromethyl)-λ4-sulfane;1-(1-methylimidazol-2-yl)ethanol
CID 159584729
methane;1-(1-methylimidazol-2-yl)ethanol
CID 174578222
1-(1-methylimidazol-2-yl)prop-2-en-1-ol
CID 58549926
1-(1-methylimidazol-2-yl)-2-propylpentan-1-ol
CID 115799892
2-(3-fluorophenyl)-1-(1-methylimidazol-2-yl)ethanol
CID 63976213
4,4,4-trifluoro-1-(3-methylimidazol-4-yl)butan-1-ol
CID 66117762

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-(1-methylimidazol-2-yl)butan-1-ol?
The IUPAC name of 4,4,4-trifluoro-1-(1-methylimidazol-2-yl)butan-1-ol (CID 79954074) is 4,4,4-trifluoro-1-(1-methylimidazol-2-yl)butan-1-ol.
What is the SMILES notation for 4,4,4-trifluoro-1-(1-methylimidazol-2-yl)butan-1-ol?
The canonical SMILES for 4,4,4-trifluoro-1-(1-methylimidazol-2-yl)butan-1-ol is Cn1ccnc1C(O)CCC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-1-(1-methylimidazol-2-yl)butan-1-ol?
The InChIKey is WBVXVIIAAXYZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O/c1-13-5-4-12-7(13)6(14)2-3-8(9,10)11/h4-6,14H,2-3H2,1H3.
What are the key properties of 4,4,4-trifluoro-1-(1-methylimidazol-2-yl)butan-1-ol?
4,4,4-trifluoro-1-(1-methylimidazol-2-yl)butan-1-ol has a molecular weight of 208.18 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-(1-methylimidazol-2-yl)butan-1-ol is sourced from PubChem (CID 79954074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).