1,1,1-trifluoro-3-[4-(1-hydroxyethyl)triazol-1-yl]propan-2-ol

C7H10F3N3O2 — CID 81443893

IUPAC1,1,1-trifluoro-3-[4-(1-hydroxyethyl)triazol-1-yl]propan-2-ol
SMILESCC(O)c1cn(CC(O)C(F)(F)F)nn1
InChIInChI=1S/C7H10F3N3O2/c1-4(14)5-2-13(12-11-5)3-6(15)7(8,9)10/h2,4,6,14-15H,3H2,1H3
InChIKeySLUIMSVVCITYIK-UHFFFAOYSA-N
MW225.17 g/mol
LogP0.25
Rot. Bonds3

About 1,1,1-trifluoro-3-[4-(1-hydroxyethyl)triazol-1-yl]propan-2-ol

1,1,1-trifluoro-3-[4-(1-hydroxyethyl)triazol-1-yl]propan-2-ol (PubChem CID 81443893) has the molecular formula C7H10F3N3O2 and a molecular weight of 225.17 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[4-(1-hydroxyethyl)triazol-1-yl]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[4-(1-hydroxyethyl)triazol-1-yl]propan-2-ol
PubChem CID81443893
Molecular FormulaC7H10F3N3O2
Molecular Weight225.17 g/mol
Exact Mass225.07
IUPAC Name1,1,1-trifluoro-3-[4-(1-hydroxyethyl)triazol-1-yl]propan-2-ol
SMILESCC(O)c1cn(CC(O)C(F)(F)F)nn1
InChIInChI=1S/C7H10F3N3O2/c1-4(14)5-2-13(12-11-5)3-6(15)7(8,9)10/h2,4,6,14-15H,3H2,1H3
InChIKeySLUIMSVVCITYIK-UHFFFAOYSA-N
XLogP0.25
TPSA71.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.17
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[4-(1-hydroxyethyl)triazol-1-yl]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[4-(1-hydroxyethyl)triazol-1-yl]propan-2-ol (CID 81443893) is 1,1,1-trifluoro-3-[4-(1-hydroxyethyl)triazol-1-yl]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[4-(1-hydroxyethyl)triazol-1-yl]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[4-(1-hydroxyethyl)triazol-1-yl]propan-2-ol is CC(O)c1cn(CC(O)C(F)(F)F)nn1.
What is the InChIKey of 1,1,1-trifluoro-3-[4-(1-hydroxyethyl)triazol-1-yl]propan-2-ol?
The InChIKey is SLUIMSVVCITYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3O2/c1-4(14)5-2-13(12-11-5)3-6(15)7(8,9)10/h2,4,6,14-15H,3H2,1H3.
What are the key properties of 1,1,1-trifluoro-3-[4-(1-hydroxyethyl)triazol-1-yl]propan-2-ol?
1,1,1-trifluoro-3-[4-(1-hydroxyethyl)triazol-1-yl]propan-2-ol has a molecular weight of 225.17 g/mol, XLogP of 0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[4-(1-hydroxyethyl)triazol-1-yl]propan-2-ol is sourced from PubChem (CID 81443893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).