2-(1,1-difluoroethyl)-2,3,3,4,4,5,5,6,6-nonafluorooxane

C7H3F11O — CID 88545032

IUPAC2-(1,1-difluoroethyl)-2,3,3,4,4,5,5,6,6-nonafluorooxane
SMILESCC(F)(F)C1(F)OC(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C7H3F11O/c1-2(8,9)6(16)4(12,13)3(10,11)5(14,15)7(17,18)19-6/h1H3
InChIKeyRZCFPNZNDSJWOO-UHFFFAOYSA-N
MW312.08 g/mol
LogP3.84
Rot. Bonds1

About 2-(1,1-difluoroethyl)-2,3,3,4,4,5,5,6,6-nonafluorooxane

2-(1,1-difluoroethyl)-2,3,3,4,4,5,5,6,6-nonafluorooxane (PubChem CID 88545032) has the molecular formula C7H3F11O and a molecular weight of 312.08 g/mol. Its IUPAC name is 2-(1,1-difluoroethyl)-2,3,3,4,4,5,5,6,6-nonafluorooxane.

Molecular Properties

Compound Name2-(1,1-difluoroethyl)-2,3,3,4,4,5,5,6,6-nonafluorooxane
PubChem CID88545032
Molecular FormulaC7H3F11O
Molecular Weight312.08 g/mol
Exact Mass312.00
IUPAC Name2-(1,1-difluoroethyl)-2,3,3,4,4,5,5,6,6-nonafluorooxane
SMILESCC(F)(F)C1(F)OC(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C7H3F11O/c1-2(8,9)6(16)4(12,13)3(10,11)5(14,15)7(17,18)19-6/h1H3
InChIKeyRZCFPNZNDSJWOO-UHFFFAOYSA-N
XLogP3.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.08
LogP ≤ 53.84
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)-2,3,3,4,4,5,5,6,6-nonafluorooxane?
The IUPAC name of 2-(1,1-difluoroethyl)-2,3,3,4,4,5,5,6,6-nonafluorooxane (CID 88545032) is 2-(1,1-difluoroethyl)-2,3,3,4,4,5,5,6,6-nonafluorooxane.
What is the SMILES notation for 2-(1,1-difluoroethyl)-2,3,3,4,4,5,5,6,6-nonafluorooxane?
The canonical SMILES for 2-(1,1-difluoroethyl)-2,3,3,4,4,5,5,6,6-nonafluorooxane is CC(F)(F)C1(F)OC(F)(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 2-(1,1-difluoroethyl)-2,3,3,4,4,5,5,6,6-nonafluorooxane?
The InChIKey is RZCFPNZNDSJWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F11O/c1-2(8,9)6(16)4(12,13)3(10,11)5(14,15)7(17,18)19-6/h1H3.
What are the key properties of 2-(1,1-difluoroethyl)-2,3,3,4,4,5,5,6,6-nonafluorooxane?
2-(1,1-difluoroethyl)-2,3,3,4,4,5,5,6,6-nonafluorooxane has a molecular weight of 312.08 g/mol, XLogP of 3.84, 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)-2,3,3,4,4,5,5,6,6-nonafluorooxane is sourced from PubChem (CID 88545032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).