2-(2,4-difluorophenyl)-3-(triazol-1-yl)propane-1,2-diol

C11H11F2N3O2 — CID 57018629

IUPAC2-(2,4-difluorophenyl)-3-(triazol-1-yl)propane-1,2-diol
SMILESOCC(O)(Cn1ccnn1)c1ccc(F)cc1F
InChIInChI=1S/C11H11F2N3O2/c12-8-1-2-9(10(13)5-8)11(18,7-17)6-16-4-3-14-15-16/h1-5,17-18H,6-7H2
InChIKeyJUHHKXOMNJCLAD-UHFFFAOYSA-N
MW255.22 g/mol
LogP0.44
Rot. Bonds4

About 2-(2,4-difluorophenyl)-3-(triazol-1-yl)propane-1,2-diol

2-(2,4-difluorophenyl)-3-(triazol-1-yl)propane-1,2-diol (PubChem CID 57018629) has the molecular formula C11H11F2N3O2 and a molecular weight of 255.22 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-3-(triazol-1-yl)propane-1,2-diol.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-3-(triazol-1-yl)propane-1,2-diol
PubChem CID57018629
Molecular FormulaC11H11F2N3O2
Molecular Weight255.22 g/mol
Exact Mass255.08
IUPAC Name2-(2,4-difluorophenyl)-3-(triazol-1-yl)propane-1,2-diol
SMILESOCC(O)(Cn1ccnn1)c1ccc(F)cc1F
InChIInChI=1S/C11H11F2N3O2/c12-8-1-2-9(10(13)5-8)11(18,7-17)6-16-4-3-14-15-16/h1-5,17-18H,6-7H2
InChIKeyJUHHKXOMNJCLAD-UHFFFAOYSA-N
XLogP0.44
TPSA71.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.22
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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
1-Azolyl-4-phenyl-2-butanone, 59
CID 44604577
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
2-(1h-Triazol-1-yl)-1-phenylethanol
CID 12811453
(2R)-1-phenyl-3-(triazol-1-yl)propan-2-ol
CID 138006541
(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

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-3-(triazol-1-yl)propane-1,2-diol?
The IUPAC name of 2-(2,4-difluorophenyl)-3-(triazol-1-yl)propane-1,2-diol (CID 57018629) is 2-(2,4-difluorophenyl)-3-(triazol-1-yl)propane-1,2-diol.
What is the SMILES notation for 2-(2,4-difluorophenyl)-3-(triazol-1-yl)propane-1,2-diol?
The canonical SMILES for 2-(2,4-difluorophenyl)-3-(triazol-1-yl)propane-1,2-diol is OCC(O)(Cn1ccnn1)c1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenyl)-3-(triazol-1-yl)propane-1,2-diol?
The InChIKey is JUHHKXOMNJCLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O2/c12-8-1-2-9(10(13)5-8)11(18,7-17)6-16-4-3-14-15-16/h1-5,17-18H,6-7H2.
What are the key properties of 2-(2,4-difluorophenyl)-3-(triazol-1-yl)propane-1,2-diol?
2-(2,4-difluorophenyl)-3-(triazol-1-yl)propane-1,2-diol has a molecular weight of 255.22 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-3-(triazol-1-yl)propane-1,2-diol is sourced from PubChem (CID 57018629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).