2-(1,1-difluoroethyl)-2,3,3,5,5,6,6-heptafluorooxane

C7H5F9O — CID 58545265

IUPAC2-(1,1-difluoroethyl)-2,3,3,5,5,6,6-heptafluorooxane
SMILESCC(F)(F)C1(F)OC(F)(F)C(F)(F)CC1(F)F
InChIInChI=1S/C7H5F9O/c1-3(8,9)6(14)4(10,11)2-5(12,13)7(15,16)17-6/h2H2,1H3
InChIKeyOMBXVXDZULFABB-UHFFFAOYSA-N
MW276.10 g/mol
LogP3.59
Rot. Bonds1

About 2-(1,1-difluoroethyl)-2,3,3,5,5,6,6-heptafluorooxane

2-(1,1-difluoroethyl)-2,3,3,5,5,6,6-heptafluorooxane (PubChem CID 58545265) has the molecular formula C7H5F9O and a molecular weight of 276.10 g/mol. Its IUPAC name is 2-(1,1-difluoroethyl)-2,3,3,5,5,6,6-heptafluorooxane.

Molecular Properties

Compound Name2-(1,1-difluoroethyl)-2,3,3,5,5,6,6-heptafluorooxane
PubChem CID58545265
Molecular FormulaC7H5F9O
Molecular Weight276.10 g/mol
Exact Mass276.02
IUPAC Name2-(1,1-difluoroethyl)-2,3,3,5,5,6,6-heptafluorooxane
SMILESCC(F)(F)C1(F)OC(F)(F)C(F)(F)CC1(F)F
InChIInChI=1S/C7H5F9O/c1-3(8,9)6(14)4(10,11)2-5(12,13)7(15,16)17-6/h2H2,1H3
InChIKeyOMBXVXDZULFABB-UHFFFAOYSA-N
XLogP3.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.10
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(1,1-difluoroethyl)-2,3,3,5,5,6,6-heptafluorooxane?
The IUPAC name of 2-(1,1-difluoroethyl)-2,3,3,5,5,6,6-heptafluorooxane (CID 58545265) is 2-(1,1-difluoroethyl)-2,3,3,5,5,6,6-heptafluorooxane.
What is the SMILES notation for 2-(1,1-difluoroethyl)-2,3,3,5,5,6,6-heptafluorooxane?
The canonical SMILES for 2-(1,1-difluoroethyl)-2,3,3,5,5,6,6-heptafluorooxane is CC(F)(F)C1(F)OC(F)(F)C(F)(F)CC1(F)F.
What is the InChIKey of 2-(1,1-difluoroethyl)-2,3,3,5,5,6,6-heptafluorooxane?
The InChIKey is OMBXVXDZULFABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F9O/c1-3(8,9)6(14)4(10,11)2-5(12,13)7(15,16)17-6/h2H2,1H3.
What are the key properties of 2-(1,1-difluoroethyl)-2,3,3,5,5,6,6-heptafluorooxane?
2-(1,1-difluoroethyl)-2,3,3,5,5,6,6-heptafluorooxane has a molecular weight of 276.10 g/mol, XLogP of 3.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoroethyl)-2,3,3,5,5,6,6-heptafluorooxane is sourced from PubChem (CID 58545265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).