(1R)-1-[1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-yl]ethanol

C12H12F3N3O — CID 67547596

IUPAC(1R)-1-[1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-yl]ethanol
SMILESC[C@@H](O)c1cn(Cc2ccc(C(F)(F)F)cc2)nn1
InChIInChI=1S/C12H12F3N3O/c1-8(19)11-7-18(17-16-11)6-9-2-4-10(5-3-9)12(13,14)15/h2-5,7-8,19H,6H2,1H3/t8-/m1/s1
InChIKeyRDCGSNBSRHIWMD-MRVPVSSYSA-N
MW271.24 g/mol
LogP2.40
Rot. Bonds3

About (1R)-1-[1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-yl]ethanol

(1R)-1-[1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-yl]ethanol (PubChem CID 67547596) has the molecular formula C12H12F3N3O and a molecular weight of 271.24 g/mol. Its IUPAC name is (1R)-1-[1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-yl]ethanol
PubChem CID67547596
Molecular FormulaC12H12F3N3O
Molecular Weight271.24 g/mol
Exact Mass271.09
IUPAC Name(1R)-1-[1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-yl]ethanol
SMILESC[C@@H](O)c1cn(Cc2ccc(C(F)(F)F)cc2)nn1
InChIInChI=1S/C12H12F3N3O/c1-8(19)11-7-18(17-16-11)6-9-2-4-10(5-3-9)12(13,14)15/h2-5,7-8,19H,6H2,1H3/t8-/m1/s1
InChIKeyRDCGSNBSRHIWMD-MRVPVSSYSA-N
XLogP2.40
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 ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-benzyl-1H-1,2,3-triazol-4-yl)methanol
CID 11651290
(1-phenyl-1H-1,2,3-triazol-4-yl)methanol
CID 708707
2-(1-phenyl-1H-1,2,3-triazol-4-yl)propan-2-ol
CID 71594942
[1-(3,4-dimethylphenyl)-1H-1,2,3-triazol-4-yl]methanol
CID 62399389
(1-(2-methylphenyl)-1H-1,2,3-triazol-4-yl)methanol
CID 53474093
1-(1-benzyl-1H-1,2,3-triazol-4-yl)ethan-1-ol
CID 71671583
1-{1-[(4-fluorophenyl)methyl]-1H-1,2,3-triazol-4-yl}ethan-1-ol
CID 75176207
1-(1-Benzyltriazol-4-yl)cyclohexan-1-ol
CID 651657
{1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazol-4-yl}methanol
CID 56828295
{1-[4-(trifluoromethyl)phenyl]-1H-1,2,3-triazol-4-yl}methanol
CID 56828296
1-((3-Fluorophenyl)methyl)-1H-1,2,3-triazole-4-methanol
CID 24213791
1-{1-[(4-chlorophenyl)methyl]-1H-1,2,3-triazol-4-yl}ethan-1-ol
CID 75176206

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-yl]ethanol?
The IUPAC name of (1R)-1-[1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-yl]ethanol (CID 67547596) is (1R)-1-[1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-yl]ethanol.
What is the SMILES notation for (1R)-1-[1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-yl]ethanol?
The canonical SMILES for (1R)-1-[1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-yl]ethanol is C[C@@H](O)c1cn(Cc2ccc(C(F)(F)F)cc2)nn1.
What is the InChIKey of (1R)-1-[1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-yl]ethanol?
The InChIKey is RDCGSNBSRHIWMD-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H12F3N3O/c1-8(19)11-7-18(17-16-11)6-9-2-4-10(5-3-9)12(13,14)15/h2-5,7-8,19H,6H2,1H3/t8-/m1/s1.
What are the key properties of (1R)-1-[1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-yl]ethanol?
(1R)-1-[1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-yl]ethanol has a molecular weight of 271.24 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-yl]ethanol is sourced from PubChem (CID 67547596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).