2,2,3,3,4,5,5,6,6-nonafluorooxane-4-carbonyl fluoride

C6F10O2 — CID 11403631

IUPAC2,2,3,3,4,5,5,6,6-nonafluorooxane-4-carbonyl fluoride
SMILESO=C(F)C1(F)C(F)(F)C(F)(F)OC(F)(F)C1(F)F
InChIInChI=1S/C6F10O2/c7-1(17)2(8)3(9,10)5(13,14)18-6(15,16)4(2,11)12
InChIKeyTXHSDEAKSLWKGH-UHFFFAOYSA-N
MW294.04 g/mol
LogP2.68
Rot. Bonds1

About 2,2,3,3,4,5,5,6,6-nonafluorooxane-4-carbonyl fluoride

2,2,3,3,4,5,5,6,6-nonafluorooxane-4-carbonyl fluoride (PubChem CID 11403631) has the molecular formula C6F10O2 and a molecular weight of 294.04 g/mol. Its IUPAC name is 2,2,3,3,4,5,5,6,6-nonafluorooxane-4-carbonyl fluoride.

Molecular Properties

Compound Name2,2,3,3,4,5,5,6,6-nonafluorooxane-4-carbonyl fluoride
PubChem CID11403631
Molecular FormulaC6F10O2
Molecular Weight294.04 g/mol
Exact Mass293.97
IUPAC Name2,2,3,3,4,5,5,6,6-nonafluorooxane-4-carbonyl fluoride
SMILESO=C(F)C1(F)C(F)(F)C(F)(F)OC(F)(F)C1(F)F
InChIInChI=1S/C6F10O2/c7-1(17)2(8)3(9,10)5(13,14)18-6(15,16)4(2,11)12
InChIKeyTXHSDEAKSLWKGH-UHFFFAOYSA-N
XLogP2.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.04
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1,2,2,3,3,4,5,5,6,6-decafluoro-4-fluorosulfonylcyclohexane-1-carbonyl fluoride
CID 19807657
1,2,2,3,4,4,5,6-octafluorocyclohexane-1,3,5-tricarbonyl fluoride
CID 58854936
2,2,4,5,5-pentafluoro-1,3-dioxolane-4-carbonyl fluoride
CID 11333283
2,2,3,3,4,4,5,5,6,6-decafluorocyclohexane-1,1-dicarbonyl fluoride
CID 88638074
2,2,4,4,5,5,6,6-octafluoro-1,3-dioxane
CID 22497786
3-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)prop-2-ynoyl fluoride
CID 139785161
2,2,3,3,4,5,5,6,6-nonafluorooxane
CID 73057419
(1S,15S)-1,3,3,4,4,6,6,7,7,9,9,10,10,12,12,13,13,15,16,16,17,17,18,18,19,19-hexacosafluoro-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadecane
CID 14921076
(1R,9R,14S,22S)-1,3,3,4,4,6,6,7,7,9,10,10,11,11,12,12,13,13,14,16,16,17,17,19,19,20,20,22,23,23,24,24,25,25,26,26-hexatriacontafluoro-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosane
CID 14892283
4,4-difluoro-2-methyl-1,3-dioxolane-2-carbonyl fluoride
CID 89135258
methane;2,2,3,3-tetrafluorooxirane
CID 174885785
2,2,4,4,5,5,7,7,8,8,10,10,11,11,13,13,14,14,16,16,17,17,19,19,20,20-hexacosafluoro-1,3,6,9,12,15,18-heptaoxacycloicosane
CID 86282027

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,5,5,6,6-nonafluorooxane-4-carbonyl fluoride?
The IUPAC name of 2,2,3,3,4,5,5,6,6-nonafluorooxane-4-carbonyl fluoride (CID 11403631) is 2,2,3,3,4,5,5,6,6-nonafluorooxane-4-carbonyl fluoride.
What is the SMILES notation for 2,2,3,3,4,5,5,6,6-nonafluorooxane-4-carbonyl fluoride?
The canonical SMILES for 2,2,3,3,4,5,5,6,6-nonafluorooxane-4-carbonyl fluoride is O=C(F)C1(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-nonafluorooxane-4-carbonyl fluoride?
The InChIKey is TXHSDEAKSLWKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6F10O2/c7-1(17)2(8)3(9,10)5(13,14)18-6(15,16)4(2,11)12.
What are the key properties of 2,2,3,3,4,5,5,6,6-nonafluorooxane-4-carbonyl fluoride?
2,2,3,3,4,5,5,6,6-nonafluorooxane-4-carbonyl fluoride has a molecular weight of 294.04 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,5,5,6,6-nonafluorooxane-4-carbonyl fluoride is sourced from PubChem (CID 11403631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).