2,4,4,7,7,8,8-heptafluoro-2-(trifluoromethyl)-1,3,6-trioxaspiro[4.4]nonane

C7H2F10O3 — CID 101266798

IUPAC2,4,4,7,7,8,8-heptafluoro-2-(trifluoromethyl)-1,3,6-trioxaspiro[4.4]nonane
SMILESFC(F)(F)C1(F)OC(F)(F)C2(CC(F)(F)C(F)(F)O2)O1
InChIInChI=1S/C7H2F10O3/c8-2(9)1-3(18-5(2,13)14)6(15,16)20-7(17,19-3)4(10,11)12/h1H2
InChIKeyMTNMEBMACOQFKI-UHFFFAOYSA-N
MW324.07 g/mol
LogP3.16
Rot. Bonds

About 2,4,4,7,7,8,8-heptafluoro-2-(trifluoromethyl)-1,3,6-trioxaspiro[4.4]nonane

2,4,4,7,7,8,8-heptafluoro-2-(trifluoromethyl)-1,3,6-trioxaspiro[4.4]nonane (PubChem CID 101266798) has the molecular formula C7H2F10O3 and a molecular weight of 324.07 g/mol. Its IUPAC name is 2,4,4,7,7,8,8-heptafluoro-2-(trifluoromethyl)-1,3,6-trioxaspiro[4.4]nonane.

Molecular Properties

Compound Name2,4,4,7,7,8,8-heptafluoro-2-(trifluoromethyl)-1,3,6-trioxaspiro[4.4]nonane
PubChem CID101266798
Molecular FormulaC7H2F10O3
Molecular Weight324.07 g/mol
Exact Mass323.98
IUPAC Name2,4,4,7,7,8,8-heptafluoro-2-(trifluoromethyl)-1,3,6-trioxaspiro[4.4]nonane
SMILESFC(F)(F)C1(F)OC(F)(F)C2(CC(F)(F)C(F)(F)O2)O1
InChIInChI=1S/C7H2F10O3/c8-2(9)1-3(18-5(2,13)14)6(15,16)20-7(17,19-3)4(10,11)12/h1H2
InChIKeyMTNMEBMACOQFKI-UHFFFAOYSA-N
XLogP3.16
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.07
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4,4,7,7,8,8-heptafluoro-2-(trifluoromethyl)-1,3,6-trioxaspiro[4.4]nonane?
The IUPAC name of 2,4,4,7,7,8,8-heptafluoro-2-(trifluoromethyl)-1,3,6-trioxaspiro[4.4]nonane (CID 101266798) is 2,4,4,7,7,8,8-heptafluoro-2-(trifluoromethyl)-1,3,6-trioxaspiro[4.4]nonane.
What is the SMILES notation for 2,4,4,7,7,8,8-heptafluoro-2-(trifluoromethyl)-1,3,6-trioxaspiro[4.4]nonane?
The canonical SMILES for 2,4,4,7,7,8,8-heptafluoro-2-(trifluoromethyl)-1,3,6-trioxaspiro[4.4]nonane is FC(F)(F)C1(F)OC(F)(F)C2(CC(F)(F)C(F)(F)O2)O1.
What is the InChIKey of 2,4,4,7,7,8,8-heptafluoro-2-(trifluoromethyl)-1,3,6-trioxaspiro[4.4]nonane?
The InChIKey is MTNMEBMACOQFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2F10O3/c8-2(9)1-3(18-5(2,13)14)6(15,16)20-7(17,19-3)4(10,11)12/h1H2.
What are the key properties of 2,4,4,7,7,8,8-heptafluoro-2-(trifluoromethyl)-1,3,6-trioxaspiro[4.4]nonane?
2,4,4,7,7,8,8-heptafluoro-2-(trifluoromethyl)-1,3,6-trioxaspiro[4.4]nonane has a molecular weight of 324.07 g/mol, XLogP of 3.16, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4,7,7,8,8-heptafluoro-2-(trifluoromethyl)-1,3,6-trioxaspiro[4.4]nonane is sourced from PubChem (CID 101266798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).