[1-[5-(trifluoromethyl)thiophen-2-yl]triazol-4-yl]methanol

C8H6F3N3OS — CID 130302372

IUPAC[1-[5-(trifluoromethyl)thiophen-2-yl]triazol-4-yl]methanol
SMILESOCc1cn(-c2ccc(C(F)(F)F)s2)nn1
InChIInChI=1S/C8H6F3N3OS/c9-8(10,11)6-1-2-7(16-6)14-3-5(4-15)12-13-14/h1-3,15H,4H2
InChIKeyBMEQDOZTYJOIEZ-UHFFFAOYSA-N
MW249.22 g/mol
LogP1.84
Rot. Bonds2

About [1-[5-(trifluoromethyl)thiophen-2-yl]triazol-4-yl]methanol

[1-[5-(trifluoromethyl)thiophen-2-yl]triazol-4-yl]methanol (PubChem CID 130302372) has the molecular formula C8H6F3N3OS and a molecular weight of 249.22 g/mol. Its IUPAC name is [1-[5-(trifluoromethyl)thiophen-2-yl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[5-(trifluoromethyl)thiophen-2-yl]triazol-4-yl]methanol
PubChem CID130302372
Molecular FormulaC8H6F3N3OS
Molecular Weight249.22 g/mol
Exact Mass249.02
IUPAC Name[1-[5-(trifluoromethyl)thiophen-2-yl]triazol-4-yl]methanol
SMILESOCc1cn(-c2ccc(C(F)(F)F)s2)nn1
InChIInChI=1S/C8H6F3N3OS/c9-8(10,11)6-1-2-7(16-6)14-3-5(4-15)12-13-14/h1-3,15H,4H2
InChIKeyBMEQDOZTYJOIEZ-UHFFFAOYSA-N
XLogP1.84
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.22
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of [1-[5-(trifluoromethyl)thiophen-2-yl]triazol-4-yl]methanol?
The IUPAC name of [1-[5-(trifluoromethyl)thiophen-2-yl]triazol-4-yl]methanol (CID 130302372) is [1-[5-(trifluoromethyl)thiophen-2-yl]triazol-4-yl]methanol.
What is the SMILES notation for [1-[5-(trifluoromethyl)thiophen-2-yl]triazol-4-yl]methanol?
The canonical SMILES for [1-[5-(trifluoromethyl)thiophen-2-yl]triazol-4-yl]methanol is OCc1cn(-c2ccc(C(F)(F)F)s2)nn1.
What is the InChIKey of [1-[5-(trifluoromethyl)thiophen-2-yl]triazol-4-yl]methanol?
The InChIKey is BMEQDOZTYJOIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N3OS/c9-8(10,11)6-1-2-7(16-6)14-3-5(4-15)12-13-14/h1-3,15H,4H2.
What are the key properties of [1-[5-(trifluoromethyl)thiophen-2-yl]triazol-4-yl]methanol?
[1-[5-(trifluoromethyl)thiophen-2-yl]triazol-4-yl]methanol has a molecular weight of 249.22 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(trifluoromethyl)thiophen-2-yl]triazol-4-yl]methanol is sourced from PubChem (CID 130302372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).