(9-hydroxy-10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,5'-bicyclo[2.2.1]heptane]-2'-yl) 2,2-difluoropropanoate

C16H18F2O8 — CID 130374803

IUPAC(9-hydroxy-10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,5'-bicyclo[2.2.1]heptane]-2'-yl) 2,2-difluoropropanoate
SMILESCC(F)(F)C(=O)OC1CC2CC1CC21OC2OC3C(O)C(=O)OC3C2O1
InChIInChI=1S/C16H18F2O8/c1-15(17,18)14(21)22-7-3-6-2-5(7)4-16(6)25-11-10-9(24-13(11)26-16)8(19)12(20)23-10/h5-11,13,19H,2-4H2,1H3
InChIKeyYSUVWGGZHPCZOD-UHFFFAOYSA-N
MW376.31 g/mol
LogP0.11
Rot. Bonds2

About (9-hydroxy-10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,5'-bicyclo[2.2.1]heptane]-2'-yl) 2,2-difluoropropanoate

(9-hydroxy-10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,5'-bicyclo[2.2.1]heptane]-2'-yl) 2,2-difluoropropanoate (PubChem CID 130374803) has the molecular formula C16H18F2O8 and a molecular weight of 376.31 g/mol. Its IUPAC name is (9-hydroxy-10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,5'-bicyclo[2.2.1]heptane]-2'-yl) 2,2-difluoropropanoate.

Molecular Properties

Compound Name(9-hydroxy-10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,5'-bicyclo[2.2.1]heptane]-2'-yl) 2,2-difluoropropanoate
PubChem CID130374803
Molecular FormulaC16H18F2O8
Molecular Weight376.31 g/mol
Exact Mass376.10
IUPAC Name(9-hydroxy-10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,5'-bicyclo[2.2.1]heptane]-2'-yl) 2,2-difluoropropanoate
SMILESCC(F)(F)C(=O)OC1CC2CC1CC21OC2OC3C(O)C(=O)OC3C2O1
InChIInChI=1S/C16H18F2O8/c1-15(17,18)14(21)22-7-3-6-2-5(7)4-16(6)25-11-10-9(24-13(11)26-16)8(19)12(20)23-10/h5-11,13,19H,2-4H2,1H3
InChIKeyYSUVWGGZHPCZOD-UHFFFAOYSA-N
XLogP0.11
TPSA100.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.31
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (9-hydroxy-10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,5'-bicyclo[2.2.1]heptane]-2'-yl) 2,2-difluoropropanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of (9-hydroxy-10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,5'-bicyclo[2.2.1]heptane]-2'-yl) 2,2-difluoropropanoate?
The IUPAC name of (9-hydroxy-10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,5'-bicyclo[2.2.1]heptane]-2'-yl) 2,2-difluoropropanoate (CID 130374803) is (9-hydroxy-10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,5'-bicyclo[2.2.1]heptane]-2'-yl) 2,2-difluoropropanoate.
What is the SMILES notation for (9-hydroxy-10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,5'-bicyclo[2.2.1]heptane]-2'-yl) 2,2-difluoropropanoate?
The canonical SMILES for (9-hydroxy-10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,5'-bicyclo[2.2.1]heptane]-2'-yl) 2,2-difluoropropanoate is CC(F)(F)C(=O)OC1CC2CC1CC21OC2OC3C(O)C(=O)OC3C2O1.
What is the InChIKey of (9-hydroxy-10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,5'-bicyclo[2.2.1]heptane]-2'-yl) 2,2-difluoropropanoate?
The InChIKey is YSUVWGGZHPCZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2O8/c1-15(17,18)14(21)22-7-3-6-2-5(7)4-16(6)25-11-10-9(24-13(11)26-16)8(19)12(20)23-10/h5-11,13,19H,2-4H2,1H3.
What are the key properties of (9-hydroxy-10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,5'-bicyclo[2.2.1]heptane]-2'-yl) 2,2-difluoropropanoate?
(9-hydroxy-10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,5'-bicyclo[2.2.1]heptane]-2'-yl) 2,2-difluoropropanoate has a molecular weight of 376.31 g/mol, XLogP of 0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (9-hydroxy-10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,5'-bicyclo[2.2.1]heptane]-2'-yl) 2,2-difluoropropanoate is sourced from PubChem (CID 130374803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).