2,2,3,3,4,4,5,5,6,6-decafluorocyclohexane-1,1-dicarbonyl fluoride

C8F12O2 — CID 88638074

IUPAC2,2,3,3,4,4,5,5,6,6-decafluorocyclohexane-1,1-dicarbonyl fluoride
SMILESO=C(F)C1(C(=O)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C8F12O2/c9-1(21)3(2(10)22)4(11,12)6(15,16)8(19,20)7(17,18)5(3,13)14
InChIKeyFRMPBEORYJIMOZ-UHFFFAOYSA-N
MW356.06 g/mol
LogP3.16
Rot. Bonds2

About 2,2,3,3,4,4,5,5,6,6-decafluorocyclohexane-1,1-dicarbonyl fluoride

2,2,3,3,4,4,5,5,6,6-decafluorocyclohexane-1,1-dicarbonyl fluoride (PubChem CID 88638074) has the molecular formula C8F12O2 and a molecular weight of 356.06 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6,6-decafluorocyclohexane-1,1-dicarbonyl fluoride.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6,6-decafluorocyclohexane-1,1-dicarbonyl fluoride
PubChem CID88638074
Molecular FormulaC8F12O2
Molecular Weight356.06 g/mol
Exact Mass355.97
IUPAC Name2,2,3,3,4,4,5,5,6,6-decafluorocyclohexane-1,1-dicarbonyl fluoride
SMILESO=C(F)C1(C(=O)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C8F12O2/c9-1(21)3(2(10)22)4(11,12)6(15,16)8(19,20)7(17,18)5(3,13)14
InChIKeyFRMPBEORYJIMOZ-UHFFFAOYSA-N
XLogP3.16
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.06
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15-triacontafluorocyclopentadecane
CID 162355786
2-(2,2,3,3,4,4,5,5-octafluoro-1-hydroxycyclopentyl)acetic acid
CID 154143640
2,2,3,3,4,5,5,6,6-nonafluorooxane-4-carbonyl fluoride
CID 11403631
1,2,2,3,3,4,4,5,5-nonafluorocyclopentane-1-carbonyl chloride
CID 141293641
1,2,2,3,4,4,5,6-octafluorocyclohexane-1,3,5-tricarbonyl fluoride
CID 58854936
1,2,2,3,3,4,5,5,6,6-decafluoro-4-fluorosulfonylcyclohexane-1-carbonyl fluoride
CID 19807657
1-amino-2,2,3,3,4,4,5,5,6,6-decafluorocyclohexane-1-carboxylic acid
CID 174986049
1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)sulfonylcyclohexane
CID 87156298
2-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)acetic acid
CID 19895197
4,4-difluoro-2-methyl-1,3-dioxolane-2-carbonyl fluoride
CID 89135258
argon;carbonyl difluoride
CID 174628174
carbonofluoridic acid
CID 118456839

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5,6,6-decafluorocyclohexane-1,1-dicarbonyl fluoride?
The IUPAC name of 2,2,3,3,4,4,5,5,6,6-decafluorocyclohexane-1,1-dicarbonyl fluoride (CID 88638074) is 2,2,3,3,4,4,5,5,6,6-decafluorocyclohexane-1,1-dicarbonyl fluoride.
What is the SMILES notation for 2,2,3,3,4,4,5,5,6,6-decafluorocyclohexane-1,1-dicarbonyl fluoride?
The canonical SMILES for 2,2,3,3,4,4,5,5,6,6-decafluorocyclohexane-1,1-dicarbonyl fluoride is O=C(F)C1(C(=O)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5,6,6-decafluorocyclohexane-1,1-dicarbonyl fluoride?
The InChIKey is FRMPBEORYJIMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8F12O2/c9-1(21)3(2(10)22)4(11,12)6(15,16)8(19,20)7(17,18)5(3,13)14.
What are the key properties of 2,2,3,3,4,4,5,5,6,6-decafluorocyclohexane-1,1-dicarbonyl fluoride?
2,2,3,3,4,4,5,5,6,6-decafluorocyclohexane-1,1-dicarbonyl fluoride has a molecular weight of 356.06 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,6,6-decafluorocyclohexane-1,1-dicarbonyl fluoride is sourced from PubChem (CID 88638074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).