2,2-difluoro-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)acetate

C10H13F2O5- — CID 164747238

IUPAC2,2-difluoro-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)acetate
SMILESO=C([O-])C(F)(F)C1(O)CCC2(CC1)OCCO2
InChIInChI=1S/C10H14F2O5/c11-10(12,7(13)14)8(15)1-3-9(4-2-8)16-5-6-17-9/h15H,1-6H2,(H,13,14)/p-1
InChIKeyJUTLDDCJLISGCL-UHFFFAOYSA-M
MW251.20 g/mol
LogP-0.58
Rot. Bonds2

About 2,2-difluoro-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)acetate

2,2-difluoro-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)acetate (PubChem CID 164747238) has the molecular formula C10H13F2O5- and a molecular weight of 251.20 g/mol. Its IUPAC name is 2,2-difluoro-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)acetate.

Molecular Properties

Compound Name2,2-difluoro-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)acetate
PubChem CID164747238
Molecular FormulaC10H13F2O5-
Molecular Weight251.20 g/mol
Exact Mass251.07
IUPAC Name2,2-difluoro-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)acetate
SMILESO=C([O-])C(F)(F)C1(O)CCC2(CC1)OCCO2
InChIInChI=1S/C10H14F2O5/c11-10(12,7(13)14)8(15)1-3-9(4-2-8)16-5-6-17-9/h15H,1-6H2,(H,13,14)/p-1
InChIKeyJUTLDDCJLISGCL-UHFFFAOYSA-M
XLogP-0.58
TPSA78.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.20
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)acetate?
The IUPAC name of 2,2-difluoro-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)acetate (CID 164747238) is 2,2-difluoro-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)acetate.
What is the SMILES notation for 2,2-difluoro-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)acetate?
The canonical SMILES for 2,2-difluoro-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)acetate is O=C([O-])C(F)(F)C1(O)CCC2(CC1)OCCO2.
What is the InChIKey of 2,2-difluoro-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)acetate?
The InChIKey is JUTLDDCJLISGCL-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H14F2O5/c11-10(12,7(13)14)8(15)1-3-9(4-2-8)16-5-6-17-9/h15H,1-6H2,(H,13,14)/p-1.
What are the key properties of 2,2-difluoro-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)acetate?
2,2-difluoro-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)acetate has a molecular weight of 251.20 g/mol, XLogP of -0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)acetate is sourced from PubChem (CID 164747238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).