2-[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]ethanol

C12H12F3N3O — CID 59645342

IUPAC2-[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]ethanol
SMILESCc1nn(-c2ccc(C(F)(F)F)cc2)nc1CCO
InChIInChI=1S/C12H12F3N3O/c1-8-11(6-7-19)17-18(16-8)10-4-2-9(3-5-10)12(13,14)15/h2-5,19H,6-7H2,1H3
InChIKeyVUQHGQKIVLTVER-UHFFFAOYSA-N
MW271.24 g/mol
LogP2.13
Rot. Bonds3

About 2-[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]ethanol

2-[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]ethanol (PubChem CID 59645342) has the molecular formula C12H12F3N3O and a molecular weight of 271.24 g/mol. Its IUPAC name is 2-[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]ethanol
PubChem CID59645342
Molecular FormulaC12H12F3N3O
Molecular Weight271.24 g/mol
Exact Mass271.09
IUPAC Name2-[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]ethanol
SMILESCc1nn(-c2ccc(C(F)(F)F)cc2)nc1CCO
InChIInChI=1S/C12H12F3N3O/c1-8-11(6-7-19)17-18(16-8)10-4-2-9(3-5-10)12(13,14)15/h2-5,19H,6-7H2,1H3
InChIKeyVUQHGQKIVLTVER-UHFFFAOYSA-N
XLogP2.13
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]ethanol?
The IUPAC name of 2-[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]ethanol (CID 59645342) is 2-[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]ethanol.
What is the SMILES notation for 2-[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]ethanol?
The canonical SMILES for 2-[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]ethanol is Cc1nn(-c2ccc(C(F)(F)F)cc2)nc1CCO.
What is the InChIKey of 2-[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]ethanol?
The InChIKey is VUQHGQKIVLTVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O/c1-8-11(6-7-19)17-18(16-8)10-4-2-9(3-5-10)12(13,14)15/h2-5,19H,6-7H2,1H3.
What are the key properties of 2-[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]ethanol?
2-[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]ethanol has a molecular weight of 271.24 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]ethanol is sourced from PubChem (CID 59645342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).