9,9-difluoro-1,5-dioxaspiro[5.5]undecane

C9H14F2O2 — CID 175895773

IUPAC9,9-difluoro-1,5-dioxaspiro[5.5]undecane
SMILESFC1(F)CCC2(CC1)OCCCO2
InChIInChI=1S/C9H14F2O2/c10-8(11)2-4-9(5-3-8)12-6-1-7-13-9/h1-7H2
InChIKeyOTXZNMVWNYNTCW-UHFFFAOYSA-N
MW192.20 g/mol
LogP2.33
Rot. Bonds

About 9,9-difluoro-1,5-dioxaspiro[5.5]undecane

9,9-difluoro-1,5-dioxaspiro[5.5]undecane (PubChem CID 175895773) has the molecular formula C9H14F2O2 and a molecular weight of 192.20 g/mol. Its IUPAC name is 9,9-difluoro-1,5-dioxaspiro[5.5]undecane.

Molecular Properties

Compound Name9,9-difluoro-1,5-dioxaspiro[5.5]undecane
PubChem CID175895773
Molecular FormulaC9H14F2O2
Molecular Weight192.20 g/mol
Exact Mass192.10
IUPAC Name9,9-difluoro-1,5-dioxaspiro[5.5]undecane
SMILESFC1(F)CCC2(CC1)OCCCO2
InChIInChI=1S/C9H14F2O2/c10-8(11)2-4-9(5-3-8)12-6-1-7-13-9/h1-7H2
InChIKeyOTXZNMVWNYNTCW-UHFFFAOYSA-N
XLogP2.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.20
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9,9-difluoro-1,5-dioxaspiro[5.5]undecane?
The IUPAC name of 9,9-difluoro-1,5-dioxaspiro[5.5]undecane (CID 175895773) is 9,9-difluoro-1,5-dioxaspiro[5.5]undecane.
What is the SMILES notation for 9,9-difluoro-1,5-dioxaspiro[5.5]undecane?
The canonical SMILES for 9,9-difluoro-1,5-dioxaspiro[5.5]undecane is FC1(F)CCC2(CC1)OCCCO2.
What is the InChIKey of 9,9-difluoro-1,5-dioxaspiro[5.5]undecane?
The InChIKey is OTXZNMVWNYNTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2O2/c10-8(11)2-4-9(5-3-8)12-6-1-7-13-9/h1-7H2.
What are the key properties of 9,9-difluoro-1,5-dioxaspiro[5.5]undecane?
9,9-difluoro-1,5-dioxaspiro[5.5]undecane has a molecular weight of 192.20 g/mol, XLogP of 2.33, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-difluoro-1,5-dioxaspiro[5.5]undecane is sourced from PubChem (CID 175895773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).