2-[3-hydroxy-5-(2-hydroxypropan-2-yloxy)cyclohexyl]oxypropan-2-yl hypofluorite

C12H23FO5 — CID 143930158

IUPAC2-[3-hydroxy-5-(2-hydroxypropan-2-yloxy)cyclohexyl]oxypropan-2-yl hypofluorite
SMILESCC(C)(O)OC1CC(O)CC(OC(C)(C)OF)C1
InChIInChI=1S/C12H23FO5/c1-11(2,15)16-9-5-8(14)6-10(7-9)17-12(3,4)18-13/h8-10,14-15H,5-7H2,1-4H3
InChIKeyLSAHRIYMDWYAKT-UHFFFAOYSA-N
MW266.31 g/mol
LogP1.67
Rot. Bonds5

About 2-[3-hydroxy-5-(2-hydroxypropan-2-yloxy)cyclohexyl]oxypropan-2-yl hypofluorite

2-[3-hydroxy-5-(2-hydroxypropan-2-yloxy)cyclohexyl]oxypropan-2-yl hypofluorite (PubChem CID 143930158) has the molecular formula C12H23FO5 and a molecular weight of 266.31 g/mol. Its IUPAC name is 2-[3-hydroxy-5-(2-hydroxypropan-2-yloxy)cyclohexyl]oxypropan-2-yl hypofluorite.

Molecular Properties

Compound Name2-[3-hydroxy-5-(2-hydroxypropan-2-yloxy)cyclohexyl]oxypropan-2-yl hypofluorite
PubChem CID143930158
Molecular FormulaC12H23FO5
Molecular Weight266.31 g/mol
Exact Mass266.15
IUPAC Name2-[3-hydroxy-5-(2-hydroxypropan-2-yloxy)cyclohexyl]oxypropan-2-yl hypofluorite
SMILESCC(C)(O)OC1CC(O)CC(OC(C)(C)OF)C1
InChIInChI=1S/C12H23FO5/c1-11(2,15)16-9-5-8(14)6-10(7-9)17-12(3,4)18-13/h8-10,14-15H,5-7H2,1-4H3
InChIKeyLSAHRIYMDWYAKT-UHFFFAOYSA-N
XLogP1.67
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-hydroxy-5-(2-hydroxypropan-2-yloxy)cyclohexyl]oxypropan-2-yl hypofluorite?
The IUPAC name of 2-[3-hydroxy-5-(2-hydroxypropan-2-yloxy)cyclohexyl]oxypropan-2-yl hypofluorite (CID 143930158) is 2-[3-hydroxy-5-(2-hydroxypropan-2-yloxy)cyclohexyl]oxypropan-2-yl hypofluorite.
What is the SMILES notation for 2-[3-hydroxy-5-(2-hydroxypropan-2-yloxy)cyclohexyl]oxypropan-2-yl hypofluorite?
The canonical SMILES for 2-[3-hydroxy-5-(2-hydroxypropan-2-yloxy)cyclohexyl]oxypropan-2-yl hypofluorite is CC(C)(O)OC1CC(O)CC(OC(C)(C)OF)C1.
What is the InChIKey of 2-[3-hydroxy-5-(2-hydroxypropan-2-yloxy)cyclohexyl]oxypropan-2-yl hypofluorite?
The InChIKey is LSAHRIYMDWYAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23FO5/c1-11(2,15)16-9-5-8(14)6-10(7-9)17-12(3,4)18-13/h8-10,14-15H,5-7H2,1-4H3.
What are the key properties of 2-[3-hydroxy-5-(2-hydroxypropan-2-yloxy)cyclohexyl]oxypropan-2-yl hypofluorite?
2-[3-hydroxy-5-(2-hydroxypropan-2-yloxy)cyclohexyl]oxypropan-2-yl hypofluorite has a molecular weight of 266.31 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-hydroxy-5-(2-hydroxypropan-2-yloxy)cyclohexyl]oxypropan-2-yl hypofluorite is sourced from PubChem (CID 143930158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).