1-(2,4-difluorophenyl)-1-[4-[1-(4-fluorophenyl)propan-2-yl]triazol-1-yl]ethanol

C19H18F3N3O — CID 54402927

IUPAC1-(2,4-difluorophenyl)-1-[4-[1-(4-fluorophenyl)propan-2-yl]triazol-1-yl]ethanol
SMILESCC(Cc1ccc(F)cc1)c1cn(C(C)(O)c2ccc(F)cc2F)nn1
InChIInChI=1S/C19H18F3N3O/c1-12(9-13-3-5-14(20)6-4-13)18-11-25(24-23-18)19(2,26)16-8-7-15(21)10-17(16)22/h3-8,10-12,26H,9H2,1-2H3
InChIKeyVOSDEKXLNOYNQB-UHFFFAOYSA-N
MW361.37 g/mol
LogP3.75
Rot. Bonds5

About 1-(2,4-difluorophenyl)-1-[4-[1-(4-fluorophenyl)propan-2-yl]triazol-1-yl]ethanol

1-(2,4-difluorophenyl)-1-[4-[1-(4-fluorophenyl)propan-2-yl]triazol-1-yl]ethanol (PubChem CID 54402927) has the molecular formula C19H18F3N3O and a molecular weight of 361.37 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-1-[4-[1-(4-fluorophenyl)propan-2-yl]triazol-1-yl]ethanol.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-1-[4-[1-(4-fluorophenyl)propan-2-yl]triazol-1-yl]ethanol
PubChem CID54402927
Molecular FormulaC19H18F3N3O
Molecular Weight361.37 g/mol
Exact Mass361.14
IUPAC Name1-(2,4-difluorophenyl)-1-[4-[1-(4-fluorophenyl)propan-2-yl]triazol-1-yl]ethanol
SMILESCC(Cc1ccc(F)cc1)c1cn(C(C)(O)c2ccc(F)cc2F)nn1
InChIInChI=1S/C19H18F3N3O/c1-12(9-13-3-5-14(20)6-4-13)18-11-25(24-23-18)19(2,26)16-8-7-15(21)10-17(16)22/h3-8,10-12,26H,9H2,1-2H3
InChIKeyVOSDEKXLNOYNQB-UHFFFAOYSA-N
XLogP3.75
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-1-[4-[1-(4-fluorophenyl)propan-2-yl]triazol-1-yl]ethanol?
The IUPAC name of 1-(2,4-difluorophenyl)-1-[4-[1-(4-fluorophenyl)propan-2-yl]triazol-1-yl]ethanol (CID 54402927) is 1-(2,4-difluorophenyl)-1-[4-[1-(4-fluorophenyl)propan-2-yl]triazol-1-yl]ethanol.
What is the SMILES notation for 1-(2,4-difluorophenyl)-1-[4-[1-(4-fluorophenyl)propan-2-yl]triazol-1-yl]ethanol?
The canonical SMILES for 1-(2,4-difluorophenyl)-1-[4-[1-(4-fluorophenyl)propan-2-yl]triazol-1-yl]ethanol is CC(Cc1ccc(F)cc1)c1cn(C(C)(O)c2ccc(F)cc2F)nn1.
What is the InChIKey of 1-(2,4-difluorophenyl)-1-[4-[1-(4-fluorophenyl)propan-2-yl]triazol-1-yl]ethanol?
The InChIKey is VOSDEKXLNOYNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O/c1-12(9-13-3-5-14(20)6-4-13)18-11-25(24-23-18)19(2,26)16-8-7-15(21)10-17(16)22/h3-8,10-12,26H,9H2,1-2H3.
What are the key properties of 1-(2,4-difluorophenyl)-1-[4-[1-(4-fluorophenyl)propan-2-yl]triazol-1-yl]ethanol?
1-(2,4-difluorophenyl)-1-[4-[1-(4-fluorophenyl)propan-2-yl]triazol-1-yl]ethanol has a molecular weight of 361.37 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-1-[4-[1-(4-fluorophenyl)propan-2-yl]triazol-1-yl]ethanol is sourced from PubChem (CID 54402927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).