2,2,2-trifluoro-1-(1H-1,2,4-triazol-5-yl)ethanol

C4H4F3N3O — CID 66467463

IUPAC2,2,2-trifluoro-1-(1H-1,2,4-triazol-5-yl)ethanol
SMILESOC(c1ncn[nH]1)C(F)(F)F
InChIInChI=1S/C4H4F3N3O/c5-4(6,7)2(11)3-8-1-9-10-3/h1-2,11H,(H,8,9,10)
InChIKeyUGUHLCKECXSSBY-UHFFFAOYSA-N
MW167.09 g/mol
LogP0.40
Rot. Bonds1

About 2,2,2-trifluoro-1-(1H-1,2,4-triazol-5-yl)ethanol

2,2,2-trifluoro-1-(1H-1,2,4-triazol-5-yl)ethanol (PubChem CID 66467463) has the molecular formula C4H4F3N3O and a molecular weight of 167.09 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(1H-1,2,4-triazol-5-yl)ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(1H-1,2,4-triazol-5-yl)ethanol
PubChem CID66467463
Molecular FormulaC4H4F3N3O
Molecular Weight167.09 g/mol
Exact Mass167.03
IUPAC Name2,2,2-trifluoro-1-(1H-1,2,4-triazol-5-yl)ethanol
SMILESOC(c1ncn[nH]1)C(F)(F)F
InChIInChI=1S/C4H4F3N3O/c5-4(6,7)2(11)3-8-1-9-10-3/h1-2,11H,(H,8,9,10)
InChIKeyUGUHLCKECXSSBY-UHFFFAOYSA-N
XLogP0.40
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.09
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(1H-1,2,4-triazol-5-yl)ethanol?
The IUPAC name of 2,2,2-trifluoro-1-(1H-1,2,4-triazol-5-yl)ethanol (CID 66467463) is 2,2,2-trifluoro-1-(1H-1,2,4-triazol-5-yl)ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-(1H-1,2,4-triazol-5-yl)ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-(1H-1,2,4-triazol-5-yl)ethanol is OC(c1ncn[nH]1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(1H-1,2,4-triazol-5-yl)ethanol?
The InChIKey is UGUHLCKECXSSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F3N3O/c5-4(6,7)2(11)3-8-1-9-10-3/h1-2,11H,(H,8,9,10).
What are the key properties of 2,2,2-trifluoro-1-(1H-1,2,4-triazol-5-yl)ethanol?
2,2,2-trifluoro-1-(1H-1,2,4-triazol-5-yl)ethanol has a molecular weight of 167.09 g/mol, XLogP of 0.40, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(1H-1,2,4-triazol-5-yl)ethanol is sourced from PubChem (CID 66467463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).