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

C6F12O — CID 71396791

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

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

2,2,3,3,4,4,5,6,6-nonafluoro-5-(trifluoromethyl)oxane (PubChem CID 71396791) has the molecular formula C6F12O and a molecular weight of 316.04 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,6,6-nonafluoro-5-(trifluoromethyl)oxane.

Molecular Properties

Compound Name2,2,3,3,4,4,5,6,6-nonafluoro-5-(trifluoromethyl)oxane
PubChem CID71396791
Molecular FormulaC6F12O
Molecular Weight316.04 g/mol
Exact Mass315.98
IUPAC Name2,2,3,3,4,4,5,6,6-nonafluoro-5-(trifluoromethyl)oxane
SMILESFC(F)(F)C1(F)C(F)(F)OC(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C6F12O/c7-1(4(12,13)14)2(8,9)3(10,11)6(17,18)19-5(1,15)16
InChIKeyTZYJXNAJDNCXBR-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 2,2,3,3,4,4,5,6,6-nonafluoro-5-(trifluoromethyl)oxane?
The IUPAC name of 2,2,3,3,4,4,5,6,6-nonafluoro-5-(trifluoromethyl)oxane (CID 71396791) is 2,2,3,3,4,4,5,6,6-nonafluoro-5-(trifluoromethyl)oxane.
What is the SMILES notation for 2,2,3,3,4,4,5,6,6-nonafluoro-5-(trifluoromethyl)oxane?
The canonical SMILES for 2,2,3,3,4,4,5,6,6-nonafluoro-5-(trifluoromethyl)oxane is FC(F)(F)C1(F)C(F)(F)OC(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,6,6-nonafluoro-5-(trifluoromethyl)oxane?
The InChIKey is TZYJXNAJDNCXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6F12O/c7-1(4(12,13)14)2(8,9)3(10,11)6(17,18)19-5(1,15)16.
What are the key properties of 2,2,3,3,4,4,5,6,6-nonafluoro-5-(trifluoromethyl)oxane?
2,2,3,3,4,4,5,6,6-nonafluoro-5-(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 2,2,3,3,4,4,5,6,6-nonafluoro-5-(trifluoromethyl)oxane is sourced from PubChem (CID 71396791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).