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

C19H16F3N3O — CID 54171419

IUPAC1-(2,4-difluorophenyl)-1-[4-[1-(4-fluorophenyl)prop-1-en-2-yl]triazol-1-yl]ethanol
SMILESCC(=Cc1ccc(F)cc1)c1cn(C(C)(O)c2ccc(F)cc2F)nn1
InChIInChI=1S/C19H16F3N3O/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/h3-11,26H,1-2H3
InChIKeyOVHMDUROBYESFJ-UHFFFAOYSA-N
MW359.35 g/mol
LogP3.97
Rot. Bonds4

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

1-(2,4-difluorophenyl)-1-[4-[1-(4-fluorophenyl)prop-1-en-2-yl]triazol-1-yl]ethanol (PubChem CID 54171419) has the molecular formula C19H16F3N3O and a molecular weight of 359.35 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-1-[4-[1-(4-fluorophenyl)prop-1-en-2-yl]triazol-1-yl]ethanol.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-1-[4-[1-(4-fluorophenyl)prop-1-en-2-yl]triazol-1-yl]ethanol
PubChem CID54171419
Molecular FormulaC19H16F3N3O
Molecular Weight359.35 g/mol
Exact Mass359.12
IUPAC Name1-(2,4-difluorophenyl)-1-[4-[1-(4-fluorophenyl)prop-1-en-2-yl]triazol-1-yl]ethanol
SMILESCC(=Cc1ccc(F)cc1)c1cn(C(C)(O)c2ccc(F)cc2F)nn1
InChIInChI=1S/C19H16F3N3O/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/h3-11,26H,1-2H3
InChIKeyOVHMDUROBYESFJ-UHFFFAOYSA-N
XLogP3.97
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 53.97
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)prop-1-en-2-yl]triazol-1-yl]ethanol?
The IUPAC name of 1-(2,4-difluorophenyl)-1-[4-[1-(4-fluorophenyl)prop-1-en-2-yl]triazol-1-yl]ethanol (CID 54171419) is 1-(2,4-difluorophenyl)-1-[4-[1-(4-fluorophenyl)prop-1-en-2-yl]triazol-1-yl]ethanol.
What is the SMILES notation for 1-(2,4-difluorophenyl)-1-[4-[1-(4-fluorophenyl)prop-1-en-2-yl]triazol-1-yl]ethanol?
The canonical SMILES for 1-(2,4-difluorophenyl)-1-[4-[1-(4-fluorophenyl)prop-1-en-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)prop-1-en-2-yl]triazol-1-yl]ethanol?
The InChIKey is OVHMDUROBYESFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O/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/h3-11,26H,1-2H3.
What are the key properties of 1-(2,4-difluorophenyl)-1-[4-[1-(4-fluorophenyl)prop-1-en-2-yl]triazol-1-yl]ethanol?
1-(2,4-difluorophenyl)-1-[4-[1-(4-fluorophenyl)prop-1-en-2-yl]triazol-1-yl]ethanol has a molecular weight of 359.35 g/mol, XLogP of 3.97, 4 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)prop-1-en-2-yl]triazol-1-yl]ethanol is sourced from PubChem (CID 54171419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).