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

C13H14F3N3O — CID 174821236

IUPAC[2-propan-2-yl-5-[4-(trifluoromethyl)triazol-1-yl]phenyl]methanol
SMILESCC(C)c1ccc(-n2cc(C(F)(F)F)nn2)cc1CO
InChIInChI=1S/C13H14F3N3O/c1-8(2)11-4-3-10(5-9(11)7-20)19-6-12(17-18-19)13(14,15)16/h3-6,8,20H,7H2,1-2H3
InChIKeyPYKCUUCZJIBHTD-UHFFFAOYSA-N
MW285.27 g/mol
LogP2.90
Rot. Bonds3

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

[2-propan-2-yl-5-[4-(trifluoromethyl)triazol-1-yl]phenyl]methanol (PubChem CID 174821236) has the molecular formula C13H14F3N3O and a molecular weight of 285.27 g/mol. Its IUPAC name is [2-propan-2-yl-5-[4-(trifluoromethyl)triazol-1-yl]phenyl]methanol.

Molecular Properties

Compound Name[2-propan-2-yl-5-[4-(trifluoromethyl)triazol-1-yl]phenyl]methanol
PubChem CID174821236
Molecular FormulaC13H14F3N3O
Molecular Weight285.27 g/mol
Exact Mass285.11
IUPAC Name[2-propan-2-yl-5-[4-(trifluoromethyl)triazol-1-yl]phenyl]methanol
SMILESCC(C)c1ccc(-n2cc(C(F)(F)F)nn2)cc1CO
InChIInChI=1S/C13H14F3N3O/c1-8(2)11-4-3-10(5-9(11)7-20)19-6-12(17-18-19)13(14,15)16/h3-6,8,20H,7H2,1-2H3
InChIKeyPYKCUUCZJIBHTD-UHFFFAOYSA-N
XLogP2.90
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromophenyl)-4-(trifluoromethyl)triazole
CID 165447875
2-[1-(3,4-dimethylphenyl)triazol-4-yl]propan-2-ol
CID 71594875
2-[1-[4-nitro-3-(trifluoromethyl)phenyl]triazol-4-yl]propan-2-ol
CID 78319203
4-tert-butyl-1-(4-propan-2-ylphenyl)triazole
CID 168749776
[3-propan-2-yl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol
CID 58733868
2-[1-(3,4-difluorophenyl)triazol-4-yl]butan-2-ol
CID 135135935
[1-[4-bromo-3-(trifluoromethyl)phenyl]triazol-4-yl]methanol
CID 64854550
2-[1-(3-fluoro-4-methoxyphenyl)triazol-4-yl]propan-2-ol
CID 113461307
(1R)-1-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]ethanol
CID 129393829
2-[1-[4-fluoro-3-(trifluoromethyl)phenyl]triazol-4-yl]ethanol
CID 62399751
[3-propan-2-yl-2-(trifluoromethyl)phenyl]methanol
CID 118269805
[1-[4-methyl-3-(trifluoromethyl)phenyl]triazol-4-yl]methanamine
CID 55029966

Frequently Asked Questions

What is the IUPAC name of [2-propan-2-yl-5-[4-(trifluoromethyl)triazol-1-yl]phenyl]methanol?
The IUPAC name of [2-propan-2-yl-5-[4-(trifluoromethyl)triazol-1-yl]phenyl]methanol (CID 174821236) is [2-propan-2-yl-5-[4-(trifluoromethyl)triazol-1-yl]phenyl]methanol.
What is the SMILES notation for [2-propan-2-yl-5-[4-(trifluoromethyl)triazol-1-yl]phenyl]methanol?
The canonical SMILES for [2-propan-2-yl-5-[4-(trifluoromethyl)triazol-1-yl]phenyl]methanol is CC(C)c1ccc(-n2cc(C(F)(F)F)nn2)cc1CO.
What is the InChIKey of [2-propan-2-yl-5-[4-(trifluoromethyl)triazol-1-yl]phenyl]methanol?
The InChIKey is PYKCUUCZJIBHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O/c1-8(2)11-4-3-10(5-9(11)7-20)19-6-12(17-18-19)13(14,15)16/h3-6,8,20H,7H2,1-2H3.
What are the key properties of [2-propan-2-yl-5-[4-(trifluoromethyl)triazol-1-yl]phenyl]methanol?
[2-propan-2-yl-5-[4-(trifluoromethyl)triazol-1-yl]phenyl]methanol has a molecular weight of 285.27 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-propan-2-yl-5-[4-(trifluoromethyl)triazol-1-yl]phenyl]methanol is sourced from PubChem (CID 174821236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).