2-(2,4-difluorophenyl)-4-(4-fluorophenyl)-3-methyl-1-(triazol-1-yl)but-3-en-2-ol

C19H16F3N3O — CID 67713595

IUPAC2-(2,4-difluorophenyl)-4-(4-fluorophenyl)-3-methyl-1-(triazol-1-yl)but-3-en-2-ol
SMILESCC(=Cc1ccc(F)cc1)C(O)(Cn1ccnn1)c1ccc(F)cc1F
InChIInChI=1S/C19H16F3N3O/c1-13(10-14-2-4-15(20)5-3-14)19(26,12-25-9-8-23-24-25)17-7-6-16(21)11-18(17)22/h2-11,26H,12H2,1H3
InChIKeyCELFVMSARWWKBK-UHFFFAOYSA-N
MW359.35 g/mol
LogP3.69
Rot. Bonds5

About 2-(2,4-difluorophenyl)-4-(4-fluorophenyl)-3-methyl-1-(triazol-1-yl)but-3-en-2-ol

2-(2,4-difluorophenyl)-4-(4-fluorophenyl)-3-methyl-1-(triazol-1-yl)but-3-en-2-ol (PubChem CID 67713595) has the molecular formula C19H16F3N3O and a molecular weight of 359.35 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-4-(4-fluorophenyl)-3-methyl-1-(triazol-1-yl)but-3-en-2-ol.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-4-(4-fluorophenyl)-3-methyl-1-(triazol-1-yl)but-3-en-2-ol
PubChem CID67713595
Molecular FormulaC19H16F3N3O
Molecular Weight359.35 g/mol
Exact Mass359.12
IUPAC Name2-(2,4-difluorophenyl)-4-(4-fluorophenyl)-3-methyl-1-(triazol-1-yl)but-3-en-2-ol
SMILESCC(=Cc1ccc(F)cc1)C(O)(Cn1ccnn1)c1ccc(F)cc1F
InChIInChI=1S/C19H16F3N3O/c1-13(10-14-2-4-15(20)5-3-14)19(26,12-25-9-8-23-24-25)17-7-6-16(21)11-18(17)22/h2-11,26H,12H2,1H3
InChIKeyCELFVMSARWWKBK-UHFFFAOYSA-N
XLogP3.69
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2,4-difluorophenyl)-4-(4-fluorophenyl)-3-methyl-1-(triazol-1-yl)but-3-en-2-ol with MolForge

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Related Compounds

(1S,2R)-1,2-diphenyl-3-(triazol-1-yl)propan-1-ol
CID 56835179
(1R,2R)-1-(4-fluorophenyl)-2-phenyl-3-(triazol-1-yl)propan-1-ol
CID 72546939
(1R,2S)-1-(4-fluorophenyl)-2-phenyl-3-(triazol-1-yl)propan-1-ol
CID 72547200
2-(4-Fluorophenyl)-1-(triazol-1-yl)-3-trimethylsilylpropan-2-ol
CID 10541770
(1R,2R)-1,2-diphenyl-3-(triazol-1-yl)propan-1-ol
CID 57400248
Difluoro[triazol-1-ylmethyl]benzhydrol
CID 129822068
1,3-Bis-(4-t-butyl-[1,2,3]triazol-1-yl)-2-(4-fluorophenyl)-propan-2-ol
CID 137350375
2-(1h-Triazol-1-yl)-1-phenylethanol
CID 12811453
(2S)-2-(2,4-difluorophenyl)-2-[(1R)-1-(1H-1,2,3-triazol-1-yl)ethyl]oxirane
CID 15337566
2,4-Bis(4-fluorophenyl)-3-methyl-1-sulfanyl-1-(triazol-1-yl)butan-2-ol
CID 19049199
2-(2,4-Difluorophenyl)-4-(4-fluorophenyl)-3-methyl-1-(triazol-1-yl)butan-2-ol
CID 19049202
4-[3-(2,4-Difluorophenyl)-3-hydroxy-2-methyl-4-(triazol-1-yl)butyl]benzonitrile
CID 19049206

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-4-(4-fluorophenyl)-3-methyl-1-(triazol-1-yl)but-3-en-2-ol?
The IUPAC name of 2-(2,4-difluorophenyl)-4-(4-fluorophenyl)-3-methyl-1-(triazol-1-yl)but-3-en-2-ol (CID 67713595) is 2-(2,4-difluorophenyl)-4-(4-fluorophenyl)-3-methyl-1-(triazol-1-yl)but-3-en-2-ol.
What is the SMILES notation for 2-(2,4-difluorophenyl)-4-(4-fluorophenyl)-3-methyl-1-(triazol-1-yl)but-3-en-2-ol?
The canonical SMILES for 2-(2,4-difluorophenyl)-4-(4-fluorophenyl)-3-methyl-1-(triazol-1-yl)but-3-en-2-ol is CC(=Cc1ccc(F)cc1)C(O)(Cn1ccnn1)c1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenyl)-4-(4-fluorophenyl)-3-methyl-1-(triazol-1-yl)but-3-en-2-ol?
The InChIKey is CELFVMSARWWKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O/c1-13(10-14-2-4-15(20)5-3-14)19(26,12-25-9-8-23-24-25)17-7-6-16(21)11-18(17)22/h2-11,26H,12H2,1H3.
What are the key properties of 2-(2,4-difluorophenyl)-4-(4-fluorophenyl)-3-methyl-1-(triazol-1-yl)but-3-en-2-ol?
2-(2,4-difluorophenyl)-4-(4-fluorophenyl)-3-methyl-1-(triazol-1-yl)but-3-en-2-ol has a molecular weight of 359.35 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-4-(4-fluorophenyl)-3-methyl-1-(triazol-1-yl)but-3-en-2-ol is sourced from PubChem (CID 67713595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).