ethane;2-methyl-3-[2-(trifluoromethyl)imidazol-1-yl]propan-1-ol

C10H17F3N2O — CID 170602581

IUPACethane;2-methyl-3-[2-(trifluoromethyl)imidazol-1-yl]propan-1-ol
SMILESCC.CC(CO)Cn1ccnc1C(F)(F)F
InChIInChI=1S/C8H11F3N2O.C2H6/c1-6(5-14)4-13-3-2-12-7(13)8(9,10)11;1-2/h2-3,6,14H,4-5H2,1H3;1-2H3
InChIKeyCSGWBLKMUBNXFV-UHFFFAOYSA-N
MW238.25 g/mol
LogP2.56
Rot. Bonds3

About ethane;2-methyl-3-[2-(trifluoromethyl)imidazol-1-yl]propan-1-ol

ethane;2-methyl-3-[2-(trifluoromethyl)imidazol-1-yl]propan-1-ol (PubChem CID 170602581) has the molecular formula C10H17F3N2O and a molecular weight of 238.25 g/mol. Its IUPAC name is ethane;2-methyl-3-[2-(trifluoromethyl)imidazol-1-yl]propan-1-ol.

Molecular Properties

Compound Nameethane;2-methyl-3-[2-(trifluoromethyl)imidazol-1-yl]propan-1-ol
PubChem CID170602581
Molecular FormulaC10H17F3N2O
Molecular Weight238.25 g/mol
Exact Mass238.13
IUPAC Nameethane;2-methyl-3-[2-(trifluoromethyl)imidazol-1-yl]propan-1-ol
SMILESCC.CC(CO)Cn1ccnc1C(F)(F)F
InChIInChI=1S/C8H11F3N2O.C2H6/c1-6(5-14)4-13-3-2-12-7(13)8(9,10)11;1-2/h2-3,6,14H,4-5H2,1H3;1-2H3
InChIKeyCSGWBLKMUBNXFV-UHFFFAOYSA-N
XLogP2.56
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 74169
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CID 565964
3-(1H-imidazol-1-yl)propan-1-ol
CID 4712271
1-(2-methyl-1H-imidazol-1-yl)propan-2-ol
CID 11542800
3-[1-(3-Hydroxyprop-1-ynyl)imidazol-2-yl]prop-2-yn-1-ol
CID 53387235
1-Butyl-2-hydroxymethylimidazole
CID 579275
2-methyl-1-(1-methyl-1H-imidazol-2-yl)propan-1-ol
CID 21589488
2,2,2-trifluoro-1-(1-methyl-1H-imidazol-2-yl)ethan-1-ol
CID 13615328
(1-(2,2,2-trifluoroethyl)-1H-imidazol-2-yl)methanol
CID 22938562
3-(1-methyl-1H-imidazol-2-yl)propan-1-ol
CID 23175760
2-{4-[(1-ethyl-1H-imidazol-2-yl)methyl]-1-isobutyl-2-piperazinyl}ethanol
CID 16187268

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-3-[2-(trifluoromethyl)imidazol-1-yl]propan-1-ol?
The IUPAC name of ethane;2-methyl-3-[2-(trifluoromethyl)imidazol-1-yl]propan-1-ol (CID 170602581) is ethane;2-methyl-3-[2-(trifluoromethyl)imidazol-1-yl]propan-1-ol.
What is the SMILES notation for ethane;2-methyl-3-[2-(trifluoromethyl)imidazol-1-yl]propan-1-ol?
The canonical SMILES for ethane;2-methyl-3-[2-(trifluoromethyl)imidazol-1-yl]propan-1-ol is CC.CC(CO)Cn1ccnc1C(F)(F)F.
What is the InChIKey of ethane;2-methyl-3-[2-(trifluoromethyl)imidazol-1-yl]propan-1-ol?
The InChIKey is CSGWBLKMUBNXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O.C2H6/c1-6(5-14)4-13-3-2-12-7(13)8(9,10)11;1-2/h2-3,6,14H,4-5H2,1H3;1-2H3.
What are the key properties of ethane;2-methyl-3-[2-(trifluoromethyl)imidazol-1-yl]propan-1-ol?
ethane;2-methyl-3-[2-(trifluoromethyl)imidazol-1-yl]propan-1-ol has a molecular weight of 238.25 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-3-[2-(trifluoromethyl)imidazol-1-yl]propan-1-ol is sourced from PubChem (CID 170602581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).