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

C6H8F3N3O — CID 142564328

IUPAC[1-(3,3,3-trifluoropropyl)-1,2,4-triazol-3-yl]methanol
SMILESOCc1ncn(CCC(F)(F)F)n1
InChIInChI=1S/C6H8F3N3O/c7-6(8,9)1-2-12-4-10-5(3-13)11-12/h4,13H,1-3H2
InChIKeyDBZVRZUBRGLNRB-UHFFFAOYSA-N
MW195.14 g/mol
LogP0.72
Rot. Bonds3

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

[1-(3,3,3-trifluoropropyl)-1,2,4-triazol-3-yl]methanol (PubChem CID 142564328) has the molecular formula C6H8F3N3O and a molecular weight of 195.14 g/mol. Its IUPAC name is [1-(3,3,3-trifluoropropyl)-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[1-(3,3,3-trifluoropropyl)-1,2,4-triazol-3-yl]methanol
PubChem CID142564328
Molecular FormulaC6H8F3N3O
Molecular Weight195.14 g/mol
Exact Mass195.06
IUPAC Name[1-(3,3,3-trifluoropropyl)-1,2,4-triazol-3-yl]methanol
SMILESOCc1ncn(CCC(F)(F)F)n1
InChIInChI=1S/C6H8F3N3O/c7-6(8,9)1-2-12-4-10-5(3-13)11-12/h4,13H,1-3H2
InChIKeyDBZVRZUBRGLNRB-UHFFFAOYSA-N
XLogP0.72
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.14
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(3,3,3-trifluoropropyl)-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [1-(3,3,3-trifluoropropyl)-1,2,4-triazol-3-yl]methanol (CID 142564328) is [1-(3,3,3-trifluoropropyl)-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [1-(3,3,3-trifluoropropyl)-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [1-(3,3,3-trifluoropropyl)-1,2,4-triazol-3-yl]methanol is OCc1ncn(CCC(F)(F)F)n1.
What is the InChIKey of [1-(3,3,3-trifluoropropyl)-1,2,4-triazol-3-yl]methanol?
The InChIKey is DBZVRZUBRGLNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3O/c7-6(8,9)1-2-12-4-10-5(3-13)11-12/h4,13H,1-3H2.
What are the key properties of [1-(3,3,3-trifluoropropyl)-1,2,4-triazol-3-yl]methanol?
[1-(3,3,3-trifluoropropyl)-1,2,4-triazol-3-yl]methanol has a molecular weight of 195.14 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,3,3-trifluoropropyl)-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 142564328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).