1,2,2,3,3,4,5,5,6,6-decafluoro-4-fluorosulfonylcyclohexane-1-carbonyl fluoride

C7F12O3S — CID 19807657

IUPAC1,2,2,3,3,4,5,5,6,6-decafluoro-4-fluorosulfonylcyclohexane-1-carbonyl fluoride
SMILESO=C(F)C1(F)C(F)(F)C(F)(F)C(F)(S(=O)(=O)F)C(F)(F)C1(F)F
InChIInChI=1S/C7F12O3S/c8-1(20)2(9)3(10,11)5(14,15)7(18,23(19,21)22)6(16,17)4(2,12)13
InChIKeyIVJIFDJKLSUYEB-UHFFFAOYSA-N
MW392.12 g/mol
LogP2.71
Rot. Bonds2

About 1,2,2,3,3,4,5,5,6,6-decafluoro-4-fluorosulfonylcyclohexane-1-carbonyl fluoride

1,2,2,3,3,4,5,5,6,6-decafluoro-4-fluorosulfonylcyclohexane-1-carbonyl fluoride (PubChem CID 19807657) has the molecular formula C7F12O3S and a molecular weight of 392.12 g/mol. Its IUPAC name is 1,2,2,3,3,4,5,5,6,6-decafluoro-4-fluorosulfonylcyclohexane-1-carbonyl fluoride.

Molecular Properties

Compound Name1,2,2,3,3,4,5,5,6,6-decafluoro-4-fluorosulfonylcyclohexane-1-carbonyl fluoride
PubChem CID19807657
Molecular FormulaC7F12O3S
Molecular Weight392.12 g/mol
Exact Mass391.94
IUPAC Name1,2,2,3,3,4,5,5,6,6-decafluoro-4-fluorosulfonylcyclohexane-1-carbonyl fluoride
SMILESO=C(F)C1(F)C(F)(F)C(F)(F)C(F)(S(=O)(=O)F)C(F)(F)C1(F)F
InChIInChI=1S/C7F12O3S/c8-1(20)2(9)3(10,11)5(14,15)7(18,23(19,21)22)6(16,17)4(2,12)13
InChIKeyIVJIFDJKLSUYEB-UHFFFAOYSA-N
XLogP2.71
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.12
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

2,2,3,3,4,5,5,6,6-nonafluorooxane-4-carbonyl fluoride
CID 11403631
1,2,2,3,4,4,5,6-octafluorocyclohexane-1,3,5-tricarbonyl fluoride
CID 58854936
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
2,2,3,3,4,4,5,5,6,6-decafluorocyclohexane-1,1-dicarbonyl fluoride
CID 88638074
1,2,2,3,3,4,4,5,5-nonafluorocyclopentane-1-carbonyl chloride
CID 141293641
hydrogen peroxide;sulfuryl difluoride
CID 175008946
1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8,8a-heptadecafluoronaphthalene-1-carboxylic acid
CID 19382044
3-fluoro-2,2-bis(fluoromethyl)propan-1-ol;3-fluoro-2,2-bis(fluoromethyl)propanoyl fluoride;[1,2,2,3,4,4,5,6,6-nonafluoro-3,5-bis(hydroxymethyl)cyclohexyl]methanol;1,2,2,3,4,4,5,6,6-nonafluorocyclohexane-1,3,5-tricarbonyl fluoride
CID 159928769
fluorosulfonyl carbonofluoridate
CID 88743410
2,2,4,5,5-pentafluoro-1,3-dioxolane-4-carbonyl fluoride
CID 11333283
1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8,8a-heptadecafluoronaphthalene-1-carbonyl bromide
CID 139893717
methylsulfonylformyl fluoride
CID 175790736

Frequently Asked Questions

What is the IUPAC name of 1,2,2,3,3,4,5,5,6,6-decafluoro-4-fluorosulfonylcyclohexane-1-carbonyl fluoride?
The IUPAC name of 1,2,2,3,3,4,5,5,6,6-decafluoro-4-fluorosulfonylcyclohexane-1-carbonyl fluoride (CID 19807657) is 1,2,2,3,3,4,5,5,6,6-decafluoro-4-fluorosulfonylcyclohexane-1-carbonyl fluoride.
What is the SMILES notation for 1,2,2,3,3,4,5,5,6,6-decafluoro-4-fluorosulfonylcyclohexane-1-carbonyl fluoride?
The canonical SMILES for 1,2,2,3,3,4,5,5,6,6-decafluoro-4-fluorosulfonylcyclohexane-1-carbonyl fluoride is O=C(F)C1(F)C(F)(F)C(F)(F)C(F)(S(=O)(=O)F)C(F)(F)C1(F)F.
What is the InChIKey of 1,2,2,3,3,4,5,5,6,6-decafluoro-4-fluorosulfonylcyclohexane-1-carbonyl fluoride?
The InChIKey is IVJIFDJKLSUYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7F12O3S/c8-1(20)2(9)3(10,11)5(14,15)7(18,23(19,21)22)6(16,17)4(2,12)13.
What are the key properties of 1,2,2,3,3,4,5,5,6,6-decafluoro-4-fluorosulfonylcyclohexane-1-carbonyl fluoride?
1,2,2,3,3,4,5,5,6,6-decafluoro-4-fluorosulfonylcyclohexane-1-carbonyl fluoride has a molecular weight of 392.12 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,3,3,4,5,5,6,6-decafluoro-4-fluorosulfonylcyclohexane-1-carbonyl fluoride is sourced from PubChem (CID 19807657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).