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

C6F12O — CID 3013857

IUPAC2,2,3,3,4,4,5,5,6-nonafluoro-6-(trifluoromethyl)oxane
SMILESFC(F)(F)C1(F)OC(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C6F12O/c7-1(8)2(9,10)4(13,5(14,15)16)19-6(17,18)3(1,11)12
InChIKeyZCPSRQQUNLMQMM-UHFFFAOYSA-N
MW316.04 g/mol
LogP3.74
Rot. Bonds

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

2,2,3,3,4,4,5,5,6-nonafluoro-6-(trifluoromethyl)oxane (PubChem CID 3013857) has the molecular formula C6F12O and a molecular weight of 316.04 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6-nonafluoro-6-(trifluoromethyl)oxane.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6-nonafluoro-6-(trifluoromethyl)oxane
PubChem CID3013857
Molecular FormulaC6F12O
Molecular Weight316.04 g/mol
Exact Mass315.98
IUPAC Name2,2,3,3,4,4,5,5,6-nonafluoro-6-(trifluoromethyl)oxane
SMILESFC(F)(F)C1(F)OC(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C6F12O/c7-1(8)2(9,10)4(13,5(14,15)16)19-6(17,18)3(1,11)12
InChIKeyZCPSRQQUNLMQMM-UHFFFAOYSA-N
XLogP3.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.04
LogP ≤ 53.74
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 2,2,3,3,4,4,5,5,6-nonafluoro-6-(trifluoromethyl)oxane?
The IUPAC name of 2,2,3,3,4,4,5,5,6-nonafluoro-6-(trifluoromethyl)oxane (CID 3013857) is 2,2,3,3,4,4,5,5,6-nonafluoro-6-(trifluoromethyl)oxane.
What is the SMILES notation for 2,2,3,3,4,4,5,5,6-nonafluoro-6-(trifluoromethyl)oxane?
The canonical SMILES for 2,2,3,3,4,4,5,5,6-nonafluoro-6-(trifluoromethyl)oxane is FC(F)(F)C1(F)OC(F)(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5,6-nonafluoro-6-(trifluoromethyl)oxane?
The InChIKey is ZCPSRQQUNLMQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6F12O/c7-1(8)2(9,10)4(13,5(14,15)16)19-6(17,18)3(1,11)12.
What are the key properties of 2,2,3,3,4,4,5,5,6-nonafluoro-6-(trifluoromethyl)oxane?
2,2,3,3,4,4,5,5,6-nonafluoro-6-(trifluoromethyl)oxane has a molecular weight of 316.04 g/mol, XLogP of 3.74, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,6-nonafluoro-6-(trifluoromethyl)oxane is sourced from PubChem (CID 3013857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).