3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-N-propyloctane-1-sulfonamide

C11H12F13NO2S — CID 175467060

IUPAC3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-N-propyloctane-1-sulfonamide
SMILESCCCNS(=O)(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H12F13NO2S/c1-2-4-25-28(26,27)5-3-6(12,13)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h25H,2-5H2,1H3
InChIKeyOQCDYJICCDAPLZ-UHFFFAOYSA-N
MW469.26 g/mol
LogP4.44
Rot. Bonds10

About 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-N-propyloctane-1-sulfonamide

3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-N-propyloctane-1-sulfonamide (PubChem CID 175467060) has the molecular formula C11H12F13NO2S and a molecular weight of 469.26 g/mol. Its IUPAC name is 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-N-propyloctane-1-sulfonamide.

Molecular Properties

Compound Name3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-N-propyloctane-1-sulfonamide
PubChem CID175467060
Molecular FormulaC11H12F13NO2S
Molecular Weight469.26 g/mol
Exact Mass469.04
IUPAC Name3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-N-propyloctane-1-sulfonamide
SMILESCCCNS(=O)(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H12F13NO2S/c1-2-4-25-28(26,27)5-3-6(12,13)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h25H,2-5H2,1H3
InChIKeyOQCDYJICCDAPLZ-UHFFFAOYSA-N
XLogP4.44
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.26
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-N-propyloctane-1-sulfonamide with MolForge

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Related Compounds

Volcano
CID 77797
N-(3-(Dimethylamino)propyl)-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-octane-1-sulfonamide
CID 89927646
1-Heptanesulfonamide, N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-
CID 111914
N-(3-aminopropyl)-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide
CID 20436299
N-(3-aminopropyl)-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctane-1-sulfonamide
CID 49869204
6:2 Fluorotelomer sulfonamido propyl methyl amine
CID 102598504
N-Ethyl perfluorohexylsulfonamide
CID 14661393
N-Ethyl-d5-perfluorooctanesulfonamide
CID 102145672
N-Propyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide
CID 14512906
N-Butylperfluorooctane-1-sulfonamide
CID 22149415
N-Hexylperfluorobutanesulfonamide
CID 85868528
8:2 Fluorotelomer sulfonamido N,N-dimethyl amine
CID 138394384

Frequently Asked Questions

What is the IUPAC name of 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-N-propyloctane-1-sulfonamide?
The IUPAC name of 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-N-propyloctane-1-sulfonamide (CID 175467060) is 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-N-propyloctane-1-sulfonamide.
What is the SMILES notation for 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-N-propyloctane-1-sulfonamide?
The canonical SMILES for 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-N-propyloctane-1-sulfonamide is CCCNS(=O)(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-N-propyloctane-1-sulfonamide?
The InChIKey is OQCDYJICCDAPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F13NO2S/c1-2-4-25-28(26,27)5-3-6(12,13)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h25H,2-5H2,1H3.
What are the key properties of 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-N-propyloctane-1-sulfonamide?
3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-N-propyloctane-1-sulfonamide has a molecular weight of 469.26 g/mol, XLogP of 4.44, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-N-propyloctane-1-sulfonamide is sourced from PubChem (CID 175467060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).