2,2,3,3,4,5,5,6,6-nonafluoro-4-(fluoromethyl)oxane

C6H2F10O — CID 156678057

IUPAC2,2,3,3,4,5,5,6,6-nonafluoro-4-(fluoromethyl)oxane
SMILESFCC1(F)C(F)(F)C(F)(F)OC(F)(F)C1(F)F
InChIInChI=1S/C6H2F10O/c7-1-2(8)3(9,10)5(13,14)17-6(15,16)4(2,11)12/h1H2
InChIKeyRGPZNWSFVPRXOX-UHFFFAOYSA-N
MW280.06 g/mol
LogP3.15
Rot. Bonds1

About 2,2,3,3,4,5,5,6,6-nonafluoro-4-(fluoromethyl)oxane

2,2,3,3,4,5,5,6,6-nonafluoro-4-(fluoromethyl)oxane (PubChem CID 156678057) has the molecular formula C6H2F10O and a molecular weight of 280.06 g/mol. Its IUPAC name is 2,2,3,3,4,5,5,6,6-nonafluoro-4-(fluoromethyl)oxane.

Molecular Properties

Compound Name2,2,3,3,4,5,5,6,6-nonafluoro-4-(fluoromethyl)oxane
PubChem CID156678057
Molecular FormulaC6H2F10O
Molecular Weight280.06 g/mol
Exact Mass279.99
IUPAC Name2,2,3,3,4,5,5,6,6-nonafluoro-4-(fluoromethyl)oxane
SMILESFCC1(F)C(F)(F)C(F)(F)OC(F)(F)C1(F)F
InChIInChI=1S/C6H2F10O/c7-1-2(8)3(9,10)5(13,14)17-6(15,16)4(2,11)12/h1H2
InChIKeyRGPZNWSFVPRXOX-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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Related Compounds

2,2,3,3,5,5,6,6-Octafluorooxane
CID 18737302
2,2,4,5,5-Pentafluoro-4-(fluoromethyl)oxane
CID 53839736
4-Ethyl-2,2,3,3,4,6,6-heptafluorooxane
CID 58488798
2,2,3,3,5-Pentafluoro-4-(fluoromethyl)oxane
CID 58957487
2,2,3,4,4,5,5,6-Octafluoro-3-(trifluoromethyl)oxane
CID 88794808
(5S)-2,2,3,3,4,5,6-heptafluoro-4-(1,1,2,2-tetrafluoroethyl)oxane
CID 89214814
3-(Difluoromethyl)-2,2,3,4,4,5,6,6-octafluorooxane
CID 89360189
2,2,3,4,4,5,6,6-Octafluoro-3-(1,2,2,2-tetrafluoroethyl)oxane
CID 89360278
4-Ethyl-2,2,3,3,4,6,6-heptafluorooxane;fluoroethane
CID 123547268
2,2,3,3,5,5,6,6-Octafluoro-4-methyloxane
CID 174178727
2,2,3,3,4,5,5,6,6-Nonafluorooxane
CID 73057419
2,2,6,6-Tetrafluoro-4-(trifluoromethyl)oxane
CID 73057715

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,5,5,6,6-nonafluoro-4-(fluoromethyl)oxane?
The IUPAC name of 2,2,3,3,4,5,5,6,6-nonafluoro-4-(fluoromethyl)oxane (CID 156678057) is 2,2,3,3,4,5,5,6,6-nonafluoro-4-(fluoromethyl)oxane.
What is the SMILES notation for 2,2,3,3,4,5,5,6,6-nonafluoro-4-(fluoromethyl)oxane?
The canonical SMILES for 2,2,3,3,4,5,5,6,6-nonafluoro-4-(fluoromethyl)oxane is FCC1(F)C(F)(F)C(F)(F)OC(F)(F)C1(F)F.
What is the InChIKey of 2,2,3,3,4,5,5,6,6-nonafluoro-4-(fluoromethyl)oxane?
The InChIKey is RGPZNWSFVPRXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F10O/c7-1-2(8)3(9,10)5(13,14)17-6(15,16)4(2,11)12/h1H2.
What are the key properties of 2,2,3,3,4,5,5,6,6-nonafluoro-4-(fluoromethyl)oxane?
2,2,3,3,4,5,5,6,6-nonafluoro-4-(fluoromethyl)oxane 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 2,2,3,3,4,5,5,6,6-nonafluoro-4-(fluoromethyl)oxane is sourced from PubChem (CID 156678057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).