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

C19H18F3N3O — CID 19049202

IUPAC2-(2,4-difluorophenyl)-4-(4-fluorophenyl)-3-methyl-1-(triazol-1-yl)butan-2-ol
SMILESCC(Cc1ccc(F)cc1)C(O)(Cn1ccnn1)c1ccc(F)cc1F
InChIInChI=1S/C19H18F3N3O/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/h2-9,11,13,26H,10,12H2,1H3
InChIKeyUAYDJBQAULQZEW-UHFFFAOYSA-N
MW361.37 g/mol
LogP3.46
Rot. Bonds6

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

2-(2,4-difluorophenyl)-4-(4-fluorophenyl)-3-methyl-1-(triazol-1-yl)butan-2-ol (PubChem CID 19049202) has the molecular formula C19H18F3N3O and a molecular weight of 361.37 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-4-(4-fluorophenyl)-3-methyl-1-(triazol-1-yl)butan-2-ol.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-4-(4-fluorophenyl)-3-methyl-1-(triazol-1-yl)butan-2-ol
PubChem CID19049202
Molecular FormulaC19H18F3N3O
Molecular Weight361.37 g/mol
Exact Mass361.14
IUPAC Name2-(2,4-difluorophenyl)-4-(4-fluorophenyl)-3-methyl-1-(triazol-1-yl)butan-2-ol
SMILESCC(Cc1ccc(F)cc1)C(O)(Cn1ccnn1)c1ccc(F)cc1F
InChIInChI=1S/C19H18F3N3O/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/h2-9,11,13,26H,10,12H2,1H3
InChIKeyUAYDJBQAULQZEW-UHFFFAOYSA-N
XLogP3.46
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S,2R)-1,2-diphenyl-3-(triazol-1-yl)propan-1-ol
CID 56835179
1-[(2R,3R)-3-(4-fluorophenyl)-3-(methoxymethoxy)-2-phenylpropyl]triazole
CID 72546693
1-[(2S,3R)-3-(4-fluorophenyl)-3-(methoxymethoxy)-2-phenylpropyl]triazole
CID 72546936
(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
2,4-Bis(4-fluorophenyl)-3-methyl-1-sulfanyl-1-(triazol-1-yl)butan-2-ol
CID 19049199
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)butan-2-ol?
The IUPAC name of 2-(2,4-difluorophenyl)-4-(4-fluorophenyl)-3-methyl-1-(triazol-1-yl)butan-2-ol (CID 19049202) is 2-(2,4-difluorophenyl)-4-(4-fluorophenyl)-3-methyl-1-(triazol-1-yl)butan-2-ol.
What is the SMILES notation for 2-(2,4-difluorophenyl)-4-(4-fluorophenyl)-3-methyl-1-(triazol-1-yl)butan-2-ol?
The canonical SMILES for 2-(2,4-difluorophenyl)-4-(4-fluorophenyl)-3-methyl-1-(triazol-1-yl)butan-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)butan-2-ol?
The InChIKey is UAYDJBQAULQZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O/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/h2-9,11,13,26H,10,12H2,1H3.
What are the key properties of 2-(2,4-difluorophenyl)-4-(4-fluorophenyl)-3-methyl-1-(triazol-1-yl)butan-2-ol?
2-(2,4-difluorophenyl)-4-(4-fluorophenyl)-3-methyl-1-(triazol-1-yl)butan-2-ol has a molecular weight of 361.37 g/mol, XLogP of 3.46, 6 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)butan-2-ol is sourced from PubChem (CID 19049202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).