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

C10H8F3N3O — CID 44819388

IUPAC[2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanol
SMILESOCc1cnn(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C10H8F3N3O/c11-10(12,13)7-1-3-9(4-2-7)16-14-5-8(6-17)15-16/h1-5,17H,6H2
InChIKeyRKSISWDITBVUGE-UHFFFAOYSA-N
MW243.19 g/mol
LogP1.78
Rot. Bonds2

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

[2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanol (PubChem CID 44819388) has the molecular formula C10H8F3N3O and a molecular weight of 243.19 g/mol. Its IUPAC name is [2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanol
PubChem CID44819388
Molecular FormulaC10H8F3N3O
Molecular Weight243.19 g/mol
Exact Mass243.06
IUPAC Name[2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanol
SMILESOCc1cnn(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C10H8F3N3O/c11-10(12,13)7-1-3-9(4-2-7)16-14-5-8(6-17)15-16/h1-5,17H,6H2
InChIKeyRKSISWDITBVUGE-UHFFFAOYSA-N
XLogP1.78
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.19
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanol?
The IUPAC name of [2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanol (CID 44819388) is [2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanol.
What is the SMILES notation for [2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanol?
The canonical SMILES for [2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanol is OCc1cnn(-c2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of [2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanol?
The InChIKey is RKSISWDITBVUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O/c11-10(12,13)7-1-3-9(4-2-7)16-14-5-8(6-17)15-16/h1-5,17H,6H2.
What are the key properties of [2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanol?
[2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanol has a molecular weight of 243.19 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanol is sourced from PubChem (CID 44819388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).