2-(difluoromethyl)-2,3,3,4,5,5,6,6-octafluorooxane

C6H2F10O — CID 4136522

IUPAC2-(difluoromethyl)-2,3,3,4,5,5,6,6-octafluorooxane
SMILESFC1C(F)(F)C(F)(F)OC(F)(C(F)F)C1(F)F
InChIInChI=1S/C6H2F10O/c7-1-3(10,11)5(14,2(8)9)17-6(15,16)4(1,12)13/h1-2H
InChIKeyKKGZCFKMWUXBKQ-UHFFFAOYSA-N
MW280.06 g/mol
LogP3.15
Rot. Bonds1

About 2-(difluoromethyl)-2,3,3,4,5,5,6,6-octafluorooxane

2-(difluoromethyl)-2,3,3,4,5,5,6,6-octafluorooxane (PubChem CID 4136522) has the molecular formula C6H2F10O and a molecular weight of 280.06 g/mol. Its IUPAC name is 2-(difluoromethyl)-2,3,3,4,5,5,6,6-octafluorooxane.

Molecular Properties

Compound Name2-(difluoromethyl)-2,3,3,4,5,5,6,6-octafluorooxane
PubChem CID4136522
Molecular FormulaC6H2F10O
Molecular Weight280.06 g/mol
Exact Mass279.99
IUPAC Name2-(difluoromethyl)-2,3,3,4,5,5,6,6-octafluorooxane
SMILESFC1C(F)(F)C(F)(F)OC(F)(C(F)F)C1(F)F
InChIInChI=1S/C6H2F10O/c7-1-3(10,11)5(14,2(8)9)17-6(15,16)4(1,12)13/h1-2H
InChIKeyKKGZCFKMWUXBKQ-UHFFFAOYSA-N
XLogP3.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.06
LogP ≤ 53.15
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-(difluoromethyl)-2,3,3,4,5,5,6,6-octafluorooxane?
The IUPAC name of 2-(difluoromethyl)-2,3,3,4,5,5,6,6-octafluorooxane (CID 4136522) is 2-(difluoromethyl)-2,3,3,4,5,5,6,6-octafluorooxane.
What is the SMILES notation for 2-(difluoromethyl)-2,3,3,4,5,5,6,6-octafluorooxane?
The canonical SMILES for 2-(difluoromethyl)-2,3,3,4,5,5,6,6-octafluorooxane is FC1C(F)(F)C(F)(F)OC(F)(C(F)F)C1(F)F.
What is the InChIKey of 2-(difluoromethyl)-2,3,3,4,5,5,6,6-octafluorooxane?
The InChIKey is KKGZCFKMWUXBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F10O/c7-1-3(10,11)5(14,2(8)9)17-6(15,16)4(1,12)13/h1-2H.
What are the key properties of 2-(difluoromethyl)-2,3,3,4,5,5,6,6-octafluorooxane?
2-(difluoromethyl)-2,3,3,4,5,5,6,6-octafluorooxane has a molecular weight of 280.06 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-2,3,3,4,5,5,6,6-octafluorooxane is sourced from PubChem (CID 4136522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).