2,2-difluoro-2-[(5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl)oxy]acetic acid

C11H12F2O5 — CID 164789021

IUPAC2,2-difluoro-2-[(5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl)oxy]acetic acid
SMILESO=C1OCC2C3CC(OC(F)(F)C(=O)O)C(C3)C12
InChIInChI=1S/C11H12F2O5/c12-11(13,10(15)16)18-7-2-4-1-5(7)8-6(4)3-17-9(8)14/h4-8H,1-3H2,(H,15,16)
InChIKeyDDVMSVMBWOMTLD-UHFFFAOYSA-N
MW262.21 g/mol
LogP0.88
Rot. Bonds3

About 2,2-difluoro-2-[(5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl)oxy]acetic acid

2,2-difluoro-2-[(5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl)oxy]acetic acid (PubChem CID 164789021) has the molecular formula C11H12F2O5 and a molecular weight of 262.21 g/mol. Its IUPAC name is 2,2-difluoro-2-[(5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl)oxy]acetic acid.

Molecular Properties

Compound Name2,2-difluoro-2-[(5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl)oxy]acetic acid
PubChem CID164789021
Molecular FormulaC11H12F2O5
Molecular Weight262.21 g/mol
Exact Mass262.07
IUPAC Name2,2-difluoro-2-[(5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl)oxy]acetic acid
SMILESO=C1OCC2C3CC(OC(F)(F)C(=O)O)C(C3)C12
InChIInChI=1S/C11H12F2O5/c12-11(13,10(15)16)18-7-2-4-1-5(7)8-6(4)3-17-9(8)14/h4-8H,1-3H2,(H,15,16)
InChIKeyDDVMSVMBWOMTLD-UHFFFAOYSA-N
XLogP0.88
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.21
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-[(5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl)oxy]acetic acid?
The IUPAC name of 2,2-difluoro-2-[(5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl)oxy]acetic acid (CID 164789021) is 2,2-difluoro-2-[(5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl)oxy]acetic acid.
What is the SMILES notation for 2,2-difluoro-2-[(5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl)oxy]acetic acid?
The canonical SMILES for 2,2-difluoro-2-[(5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl)oxy]acetic acid is O=C1OCC2C3CC(OC(F)(F)C(=O)O)C(C3)C12.
What is the InChIKey of 2,2-difluoro-2-[(5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl)oxy]acetic acid?
The InChIKey is DDVMSVMBWOMTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O5/c12-11(13,10(15)16)18-7-2-4-1-5(7)8-6(4)3-17-9(8)14/h4-8H,1-3H2,(H,15,16).
What are the key properties of 2,2-difluoro-2-[(5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl)oxy]acetic acid?
2,2-difluoro-2-[(5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl)oxy]acetic acid has a molecular weight of 262.21 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-[(5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl)oxy]acetic acid is sourced from PubChem (CID 164789021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).