2-(2,5-difluorophenyl)-3-(oxan-2-yloxy)-1-(1,2,4-triazol-1-yl)butan-2-ol

C17H21F2N3O3 — CID 18367686

IUPAC2-(2,5-difluorophenyl)-3-(oxan-2-yloxy)-1-(1,2,4-triazol-1-yl)butan-2-ol
SMILESCC(OC1CCCCO1)C(O)(Cn1cncn1)c1cc(F)ccc1F
InChIInChI=1S/C17H21F2N3O3/c1-12(25-16-4-2-3-7-24-16)17(23,9-22-11-20-10-21-22)14-8-13(18)5-6-15(14)19/h5-6,8,10-12,16,23H,2-4,7,9H2,1H3
InChIKeyBTKBSLSOTARAOZ-UHFFFAOYSA-N
MW353.37 g/mol
LogP2.38
Rot. Bonds6

About 2-(2,5-difluorophenyl)-3-(oxan-2-yloxy)-1-(1,2,4-triazol-1-yl)butan-2-ol

2-(2,5-difluorophenyl)-3-(oxan-2-yloxy)-1-(1,2,4-triazol-1-yl)butan-2-ol (PubChem CID 18367686) has the molecular formula C17H21F2N3O3 and a molecular weight of 353.37 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-3-(oxan-2-yloxy)-1-(1,2,4-triazol-1-yl)butan-2-ol.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-3-(oxan-2-yloxy)-1-(1,2,4-triazol-1-yl)butan-2-ol
PubChem CID18367686
Molecular FormulaC17H21F2N3O3
Molecular Weight353.37 g/mol
Exact Mass353.16
IUPAC Name2-(2,5-difluorophenyl)-3-(oxan-2-yloxy)-1-(1,2,4-triazol-1-yl)butan-2-ol
SMILESCC(OC1CCCCO1)C(O)(Cn1cncn1)c1cc(F)ccc1F
InChIInChI=1S/C17H21F2N3O3/c1-12(25-16-4-2-3-7-24-16)17(23,9-22-11-20-10-21-22)14-8-13(18)5-6-15(14)19/h5-6,8,10-12,16,23H,2-4,7,9H2,1H3
InChIKeyBTKBSLSOTARAOZ-UHFFFAOYSA-N
XLogP2.38
TPSA69.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(2,5-difluorophenyl)-3-(oxan-2-yloxy)-1-(1,2,4-triazol-1-yl)butan-2-ol with MolForge

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Related Compounds

(2S,3R)-2-(2,5-difluorophenyl)-1-(1,2,4-triazol-1-yl)butane-2,3-diol
CID 124577307
(2R,3R)-2-(2,4-difluorophenyl)-3-[1-(2,4-difluorophenyl)piperidin-4-yl]oxy-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 53357542
(2R,3R)-3-[1-(4-chloro-2-methylphenyl)piperidin-4-yl]oxy-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 53357540
(2R,3R)-3-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]oxy-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 53357418
(2R)-2-(2,4-difluorophenyl)-3-methyl-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 58961300
(2R,3R)-2-(2,4-difluorophenyl)-3-[1,3-dioxolan-2-ylmethyl(methyl)amino]-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 11793368
[3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]phosphonic acid
CID 175171428
3-[(4-chlorophenyl)methoxy]-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 10982104
(2R,3S)-2-(2,4-difluorophenyl)-3-phenylmethoxy-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 139974274
(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-2-methyl-4-(1,2,4-triazol-1-yl)butanal
CID 10588875
(2R,3R)-3-[5-[cyclohexylmethyl(oxan-2-ylmethyl)amino]indazol-1-yl]-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 68644887
(2R,3R)-2-(2,4-difluorophenyl)-3-[[1-(2,5-difluorophenyl)triazol-4-yl]methoxy]-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 167434946

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-3-(oxan-2-yloxy)-1-(1,2,4-triazol-1-yl)butan-2-ol?
The IUPAC name of 2-(2,5-difluorophenyl)-3-(oxan-2-yloxy)-1-(1,2,4-triazol-1-yl)butan-2-ol (CID 18367686) is 2-(2,5-difluorophenyl)-3-(oxan-2-yloxy)-1-(1,2,4-triazol-1-yl)butan-2-ol.
What is the SMILES notation for 2-(2,5-difluorophenyl)-3-(oxan-2-yloxy)-1-(1,2,4-triazol-1-yl)butan-2-ol?
The canonical SMILES for 2-(2,5-difluorophenyl)-3-(oxan-2-yloxy)-1-(1,2,4-triazol-1-yl)butan-2-ol is CC(OC1CCCCO1)C(O)(Cn1cncn1)c1cc(F)ccc1F.
What is the InChIKey of 2-(2,5-difluorophenyl)-3-(oxan-2-yloxy)-1-(1,2,4-triazol-1-yl)butan-2-ol?
The InChIKey is BTKBSLSOTARAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2N3O3/c1-12(25-16-4-2-3-7-24-16)17(23,9-22-11-20-10-21-22)14-8-13(18)5-6-15(14)19/h5-6,8,10-12,16,23H,2-4,7,9H2,1H3.
What are the key properties of 2-(2,5-difluorophenyl)-3-(oxan-2-yloxy)-1-(1,2,4-triazol-1-yl)butan-2-ol?
2-(2,5-difluorophenyl)-3-(oxan-2-yloxy)-1-(1,2,4-triazol-1-yl)butan-2-ol has a molecular weight of 353.37 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)-3-(oxan-2-yloxy)-1-(1,2,4-triazol-1-yl)butan-2-ol is sourced from PubChem (CID 18367686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).