2-(1-methyltriazol-4-yl)-1-[2-(trifluoromethyl)phenyl]ethanol

C12H12F3N3O — CID 107045891

IUPAC2-(1-methyltriazol-4-yl)-1-[2-(trifluoromethyl)phenyl]ethanol
SMILESCn1cc(CC(O)c2ccccc2C(F)(F)F)nn1
InChIInChI=1S/C12H12F3N3O/c1-18-7-8(16-17-18)6-11(19)9-4-2-3-5-10(9)12(13,14)15/h2-5,7,11,19H,6H2,1H3
InChIKeyCLNLKSMAZRNFBE-UHFFFAOYSA-N
MW271.24 g/mol
LogP2.11
Rot. Bonds3

About 2-(1-methyltriazol-4-yl)-1-[2-(trifluoromethyl)phenyl]ethanol

2-(1-methyltriazol-4-yl)-1-[2-(trifluoromethyl)phenyl]ethanol (PubChem CID 107045891) has the molecular formula C12H12F3N3O and a molecular weight of 271.24 g/mol. Its IUPAC name is 2-(1-methyltriazol-4-yl)-1-[2-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-(1-methyltriazol-4-yl)-1-[2-(trifluoromethyl)phenyl]ethanol
PubChem CID107045891
Molecular FormulaC12H12F3N3O
Molecular Weight271.24 g/mol
Exact Mass271.09
IUPAC Name2-(1-methyltriazol-4-yl)-1-[2-(trifluoromethyl)phenyl]ethanol
SMILESCn1cc(CC(O)c2ccccc2C(F)(F)F)nn1
InChIInChI=1S/C12H12F3N3O/c1-18-7-8(16-17-18)6-11(19)9-4-2-3-5-10(9)12(13,14)15/h2-5,7,11,19H,6H2,1H3
InChIKeyCLNLKSMAZRNFBE-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methyltriazol-4-yl)-1-[2-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-(1-methyltriazol-4-yl)-1-[2-(trifluoromethyl)phenyl]ethanol (CID 107045891) is 2-(1-methyltriazol-4-yl)-1-[2-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-(1-methyltriazol-4-yl)-1-[2-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-(1-methyltriazol-4-yl)-1-[2-(trifluoromethyl)phenyl]ethanol is Cn1cc(CC(O)c2ccccc2C(F)(F)F)nn1.
What is the InChIKey of 2-(1-methyltriazol-4-yl)-1-[2-(trifluoromethyl)phenyl]ethanol?
The InChIKey is CLNLKSMAZRNFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O/c1-18-7-8(16-17-18)6-11(19)9-4-2-3-5-10(9)12(13,14)15/h2-5,7,11,19H,6H2,1H3.
What are the key properties of 2-(1-methyltriazol-4-yl)-1-[2-(trifluoromethyl)phenyl]ethanol?
2-(1-methyltriazol-4-yl)-1-[2-(trifluoromethyl)phenyl]ethanol has a molecular weight of 271.24 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyltriazol-4-yl)-1-[2-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 107045891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).