1,2,2,2-tetrafluoro-1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)ethanesulfonamide

C8H2F15NO2S — CID 172701890

IUPAC1,2,2,2-tetrafluoro-1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)ethanesulfonamide
SMILESNS(=O)(=O)C(F)(C(F)(F)F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C8H2F15NO2S/c9-1(7(20,8(21,22)23)27(24,25)26)2(10,11)4(14,15)6(18,19)5(16,17)3(1,12)13/h(H2,24,25,26)
InChIKeyDBLYYHSJKBBCIL-UHFFFAOYSA-N
MW461.15 g/mol
LogP3.40
Rot. Bonds2

About 1,2,2,2-tetrafluoro-1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)ethanesulfonamide

1,2,2,2-tetrafluoro-1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)ethanesulfonamide (PubChem CID 172701890) has the molecular formula C8H2F15NO2S and a molecular weight of 461.15 g/mol. Its IUPAC name is 1,2,2,2-tetrafluoro-1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)ethanesulfonamide.

Molecular Properties

Compound Name1,2,2,2-tetrafluoro-1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)ethanesulfonamide
PubChem CID172701890
Molecular FormulaC8H2F15NO2S
Molecular Weight461.15 g/mol
Exact Mass460.96
IUPAC Name1,2,2,2-tetrafluoro-1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)ethanesulfonamide
SMILESNS(=O)(=O)C(F)(C(F)(F)F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C8H2F15NO2S/c9-1(7(20,8(21,22)23)27(24,25)26)2(10,11)4(14,15)6(18,19)5(16,17)3(1,12)13/h(H2,24,25,26)
InChIKeyDBLYYHSJKBBCIL-UHFFFAOYSA-N
XLogP3.40
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.15
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,2,2,2-tetrafluoro-1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)ethanesulfonamide with MolForge

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Related Compounds

1,1,2,2,2-pentafluoroethyl difluoro-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methanesulfonate
CID 87672927
azane;bis(trifluoromethanesulfonamide)
CID 171927833
1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-[1,1,2,2-tetrafluoro-2-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)ethyl]cyclohexane
CID 138394265
CID 87103721
CID 87103721
indigane;trifluoromethanesulfonamide
CID 174794253
1,1,2,2,3,3,4,5-octafluoro-4,5-bis(trifluoromethyl)cyclopentane
CID 10247271
CID 87784182
CID 87784182
trans-(4S,6S)-1,1,2,2,3,3,4,5,5,6-decafluoro-4,6-bis(1,1,2,2,2-pentafluoroethyl)cyclohexane
CID 98047723
(4aR,8R,8aR)-1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8a-heptadecafluoro-8-(trifluoromethyl)naphthalene
CID 76965921
1,2,2,3,3,3-hexafluoropropane-1,1-disulfonamide
CID 87361345
1,1,2,2,3,3a,4,4,5,5,6,6,7,7,7a-pentadecafluoro-3-(trifluoromethyl)indene
CID 22508282
(4aR,8S,8aS)-1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8a-heptadecafluoro-8-(trifluoromethyl)naphthalene
CID 76965926

Frequently Asked Questions

What is the IUPAC name of 1,2,2,2-tetrafluoro-1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)ethanesulfonamide?
The IUPAC name of 1,2,2,2-tetrafluoro-1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)ethanesulfonamide (CID 172701890) is 1,2,2,2-tetrafluoro-1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)ethanesulfonamide.
What is the SMILES notation for 1,2,2,2-tetrafluoro-1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)ethanesulfonamide?
The canonical SMILES for 1,2,2,2-tetrafluoro-1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)ethanesulfonamide is NS(=O)(=O)C(F)(C(F)(F)F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 1,2,2,2-tetrafluoro-1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)ethanesulfonamide?
The InChIKey is DBLYYHSJKBBCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2F15NO2S/c9-1(7(20,8(21,22)23)27(24,25)26)2(10,11)4(14,15)6(18,19)5(16,17)3(1,12)13/h(H2,24,25,26).
What are the key properties of 1,2,2,2-tetrafluoro-1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)ethanesulfonamide?
1,2,2,2-tetrafluoro-1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)ethanesulfonamide has a molecular weight of 461.15 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,2-tetrafluoro-1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)ethanesulfonamide is sourced from PubChem (CID 172701890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).