1,1,1-trifluoro-2-(1H-imidazol-5-yl)butan-2-ol

C7H9F3N2O — CID 141295403

IUPAC1,1,1-trifluoro-2-(1H-imidazol-5-yl)butan-2-ol
SMILESCCC(O)(c1cnc[nH]1)C(F)(F)F
InChIInChI=1S/C7H9F3N2O/c1-2-6(13,7(8,9)10)5-3-11-4-12-5/h3-4,13H,2H2,1H3,(H,11,12)
InChIKeyOQPRPBKVACUFSX-UHFFFAOYSA-N
MW194.16 g/mol
LogP1.57
Rot. Bonds2

About 1,1,1-trifluoro-2-(1H-imidazol-5-yl)butan-2-ol

1,1,1-trifluoro-2-(1H-imidazol-5-yl)butan-2-ol (PubChem CID 141295403) has the molecular formula C7H9F3N2O and a molecular weight of 194.16 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-(1H-imidazol-5-yl)butan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-2-(1H-imidazol-5-yl)butan-2-ol
PubChem CID141295403
Molecular FormulaC7H9F3N2O
Molecular Weight194.16 g/mol
Exact Mass194.07
IUPAC Name1,1,1-trifluoro-2-(1H-imidazol-5-yl)butan-2-ol
SMILESCCC(O)(c1cnc[nH]1)C(F)(F)F
InChIInChI=1S/C7H9F3N2O/c1-2-6(13,7(8,9)10)5-3-11-4-12-5/h3-4,13H,2H2,1H3,(H,11,12)
InChIKeyOQPRPBKVACUFSX-UHFFFAOYSA-N
XLogP1.57
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-(1H-imidazol-5-yl)butan-2-ol?
The IUPAC name of 1,1,1-trifluoro-2-(1H-imidazol-5-yl)butan-2-ol (CID 141295403) is 1,1,1-trifluoro-2-(1H-imidazol-5-yl)butan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-2-(1H-imidazol-5-yl)butan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-2-(1H-imidazol-5-yl)butan-2-ol is CCC(O)(c1cnc[nH]1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-(1H-imidazol-5-yl)butan-2-ol?
The InChIKey is OQPRPBKVACUFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O/c1-2-6(13,7(8,9)10)5-3-11-4-12-5/h3-4,13H,2H2,1H3,(H,11,12).
What are the key properties of 1,1,1-trifluoro-2-(1H-imidazol-5-yl)butan-2-ol?
1,1,1-trifluoro-2-(1H-imidazol-5-yl)butan-2-ol has a molecular weight of 194.16 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-(1H-imidazol-5-yl)butan-2-ol is sourced from PubChem (CID 141295403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).