[3-(3,3,3-trifluoropropyl)-1H-1,2,4-triazol-5-yl]methanol

C6H8F3N3O — CID 79964961

IUPAC[3-(3,3,3-trifluoropropyl)-1H-1,2,4-triazol-5-yl]methanol
SMILESOCc1nc(CCC(F)(F)F)n[nH]1
InChIInChI=1S/C6H8F3N3O/c7-6(8,9)2-1-4-10-5(3-13)12-11-4/h13H,1-3H2,(H,10,11,12)
InChIKeyGKSFFHHTITXVGG-UHFFFAOYSA-N
MW195.14 g/mol
LogP0.79
Rot. Bonds3

About [3-(3,3,3-trifluoropropyl)-1H-1,2,4-triazol-5-yl]methanol

[3-(3,3,3-trifluoropropyl)-1H-1,2,4-triazol-5-yl]methanol (PubChem CID 79964961) has the molecular formula C6H8F3N3O and a molecular weight of 195.14 g/mol. Its IUPAC name is [3-(3,3,3-trifluoropropyl)-1H-1,2,4-triazol-5-yl]methanol.

Molecular Properties

Compound Name[3-(3,3,3-trifluoropropyl)-1H-1,2,4-triazol-5-yl]methanol
PubChem CID79964961
Molecular FormulaC6H8F3N3O
Molecular Weight195.14 g/mol
Exact Mass195.06
IUPAC Name[3-(3,3,3-trifluoropropyl)-1H-1,2,4-triazol-5-yl]methanol
SMILESOCc1nc(CCC(F)(F)F)n[nH]1
InChIInChI=1S/C6H8F3N3O/c7-6(8,9)2-1-4-10-5(3-13)12-11-4/h13H,1-3H2,(H,10,11,12)
InChIKeyGKSFFHHTITXVGG-UHFFFAOYSA-N
XLogP0.79
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.14
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(3,3,3-trifluoropropyl)-1H-1,2,4-triazol-5-yl]methanol?
The IUPAC name of [3-(3,3,3-trifluoropropyl)-1H-1,2,4-triazol-5-yl]methanol (CID 79964961) is [3-(3,3,3-trifluoropropyl)-1H-1,2,4-triazol-5-yl]methanol.
What is the SMILES notation for [3-(3,3,3-trifluoropropyl)-1H-1,2,4-triazol-5-yl]methanol?
The canonical SMILES for [3-(3,3,3-trifluoropropyl)-1H-1,2,4-triazol-5-yl]methanol is OCc1nc(CCC(F)(F)F)n[nH]1.
What is the InChIKey of [3-(3,3,3-trifluoropropyl)-1H-1,2,4-triazol-5-yl]methanol?
The InChIKey is GKSFFHHTITXVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3O/c7-6(8,9)2-1-4-10-5(3-13)12-11-4/h13H,1-3H2,(H,10,11,12).
What are the key properties of [3-(3,3,3-trifluoropropyl)-1H-1,2,4-triazol-5-yl]methanol?
[3-(3,3,3-trifluoropropyl)-1H-1,2,4-triazol-5-yl]methanol has a molecular weight of 195.14 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,3,3-trifluoropropyl)-1H-1,2,4-triazol-5-yl]methanol is sourced from PubChem (CID 79964961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).