2-[1-(trifluoromethyl)triazol-4-yl]propan-2-ol

C6H8F3N3O — CID 138629091

IUPAC2-[1-(trifluoromethyl)triazol-4-yl]propan-2-ol
SMILESCC(C)(O)c1cn(C(F)(F)F)nn1
InChIInChI=1S/C6H8F3N3O/c1-5(2,13)4-3-12(11-10-4)6(7,8)9/h3,13H,1-2H3
InChIKeySZEFMQUROFVYSU-UHFFFAOYSA-N
MW195.14 g/mol
LogP0.98
Rot. Bonds1

About 2-[1-(trifluoromethyl)triazol-4-yl]propan-2-ol

2-[1-(trifluoromethyl)triazol-4-yl]propan-2-ol (PubChem CID 138629091) has the molecular formula C6H8F3N3O and a molecular weight of 195.14 g/mol. Its IUPAC name is 2-[1-(trifluoromethyl)triazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-(trifluoromethyl)triazol-4-yl]propan-2-ol
PubChem CID138629091
Molecular FormulaC6H8F3N3O
Molecular Weight195.14 g/mol
Exact Mass195.06
IUPAC Name2-[1-(trifluoromethyl)triazol-4-yl]propan-2-ol
SMILESCC(C)(O)c1cn(C(F)(F)F)nn1
InChIInChI=1S/C6H8F3N3O/c1-5(2,13)4-3-12(11-10-4)6(7,8)9/h3,13H,1-2H3
InChIKeySZEFMQUROFVYSU-UHFFFAOYSA-N
XLogP0.98
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.14
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(trifluoromethyl)triazol-4-yl]propan-2-ol?
The IUPAC name of 2-[1-(trifluoromethyl)triazol-4-yl]propan-2-ol (CID 138629091) is 2-[1-(trifluoromethyl)triazol-4-yl]propan-2-ol.
What is the SMILES notation for 2-[1-(trifluoromethyl)triazol-4-yl]propan-2-ol?
The canonical SMILES for 2-[1-(trifluoromethyl)triazol-4-yl]propan-2-ol is CC(C)(O)c1cn(C(F)(F)F)nn1.
What is the InChIKey of 2-[1-(trifluoromethyl)triazol-4-yl]propan-2-ol?
The InChIKey is SZEFMQUROFVYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3O/c1-5(2,13)4-3-12(11-10-4)6(7,8)9/h3,13H,1-2H3.
What are the key properties of 2-[1-(trifluoromethyl)triazol-4-yl]propan-2-ol?
2-[1-(trifluoromethyl)triazol-4-yl]propan-2-ol has a molecular weight of 195.14 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(trifluoromethyl)triazol-4-yl]propan-2-ol is sourced from PubChem (CID 138629091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).