[5-[2-(trifluoromethyl)phenyl]-2H-triazol-4-yl]methanol

C10H8F3N3O — CID 117167794

IUPAC[5-[2-(trifluoromethyl)phenyl]-2H-triazol-4-yl]methanol
SMILESOCc1n[nH]nc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C10H8F3N3O/c11-10(12,13)7-4-2-1-3-6(7)9-8(5-17)14-16-15-9/h1-4,17H,5H2,(H,14,15,16)
InChIKeyHFODSNKYQPQQAI-UHFFFAOYSA-N
MW243.19 g/mol
LogP1.98
Rot. Bonds2

About [5-[2-(trifluoromethyl)phenyl]-2H-triazol-4-yl]methanol

[5-[2-(trifluoromethyl)phenyl]-2H-triazol-4-yl]methanol (PubChem CID 117167794) has the molecular formula C10H8F3N3O and a molecular weight of 243.19 g/mol. Its IUPAC name is [5-[2-(trifluoromethyl)phenyl]-2H-triazol-4-yl]methanol.

Molecular Properties

Compound Name[5-[2-(trifluoromethyl)phenyl]-2H-triazol-4-yl]methanol
PubChem CID117167794
Molecular FormulaC10H8F3N3O
Molecular Weight243.19 g/mol
Exact Mass243.06
IUPAC Name[5-[2-(trifluoromethyl)phenyl]-2H-triazol-4-yl]methanol
SMILESOCc1n[nH]nc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C10H8F3N3O/c11-10(12,13)7-4-2-1-3-6(7)9-8(5-17)14-16-15-9/h1-4,17H,5H2,(H,14,15,16)
InChIKeyHFODSNKYQPQQAI-UHFFFAOYSA-N
XLogP1.98
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.19
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-[2-(trifluoromethyl)phenyl]-2H-triazol-4-yl]methanol?
The IUPAC name of [5-[2-(trifluoromethyl)phenyl]-2H-triazol-4-yl]methanol (CID 117167794) is [5-[2-(trifluoromethyl)phenyl]-2H-triazol-4-yl]methanol.
What is the SMILES notation for [5-[2-(trifluoromethyl)phenyl]-2H-triazol-4-yl]methanol?
The canonical SMILES for [5-[2-(trifluoromethyl)phenyl]-2H-triazol-4-yl]methanol is OCc1n[nH]nc1-c1ccccc1C(F)(F)F.
What is the InChIKey of [5-[2-(trifluoromethyl)phenyl]-2H-triazol-4-yl]methanol?
The InChIKey is HFODSNKYQPQQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O/c11-10(12,13)7-4-2-1-3-6(7)9-8(5-17)14-16-15-9/h1-4,17H,5H2,(H,14,15,16).
What are the key properties of [5-[2-(trifluoromethyl)phenyl]-2H-triazol-4-yl]methanol?
[5-[2-(trifluoromethyl)phenyl]-2H-triazol-4-yl]methanol has a molecular weight of 243.19 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-(trifluoromethyl)phenyl]-2H-triazol-4-yl]methanol is sourced from PubChem (CID 117167794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).