nonane;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide

C11H21F6NO4S2 — CID 175845377

IUPACnonane;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
SMILESCCCCCCCCC.O=S(=O)(NS(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H20.C2HF6NO4S2/c1-3-5-7-9-8-6-4-2;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h3-9H2,1-2H3;9H
InChIKeyVWZQUSCIRWVLHI-UHFFFAOYSA-N
MW409.41 g/mol
LogP4.03
Rot. Bonds8

About nonane;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide

nonane;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide (PubChem CID 175845377) has the molecular formula C11H21F6NO4S2 and a molecular weight of 409.41 g/mol. Its IUPAC name is nonane;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide.

Molecular Properties

Compound Namenonane;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
PubChem CID175845377
Molecular FormulaC11H21F6NO4S2
Molecular Weight409.41 g/mol
Exact Mass409.08
IUPAC Namenonane;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
SMILESCCCCCCCCC.O=S(=O)(NS(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H20.C2HF6NO4S2/c1-3-5-7-9-8-6-4-2;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h3-9H2,1-2H3;9H
InChIKeyVWZQUSCIRWVLHI-UHFFFAOYSA-N
XLogP4.03
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.41
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

heptyl(trimethyl)azanium;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 87089549
5-butylnonan-5-amine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 139465938
indium(3+);bis(1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide)
CID 131725280
tricosane;trifluoromethanesulfonic acid
CID 161255361
copper;bis(1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide)
CID 161328389
1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide;N-tritylheptan-1-amine
CID 171930845
4-(dibutylamino)butane-1-sulfonic acid;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 56973048
copper;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide;hydrate
CID 175971884
N-[S-butyl-N-(trifluoromethylsulfonyl)sulfonimidoyl]-1,1,1-trifluoromethanesulfonamide
CID 20577524
1-hexadecyl-3-methylpiperidine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 172841939
1-methyl-3-pentylimidazol-1-ium;bis(1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide)
CID 166681147
1,1,1-trifluoro-N-[octyl-[[S-octyl-N-(trifluoromethylsulfonyl)sulfonimidoyl]amino]-oxo-λ6-sulfanylidene]methanesulfonamide
CID 20577522

Frequently Asked Questions

What is the IUPAC name of nonane;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
The IUPAC name of nonane;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide (CID 175845377) is nonane;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide.
What is the SMILES notation for nonane;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
The canonical SMILES for nonane;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide is CCCCCCCCC.O=S(=O)(NS(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of nonane;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
The InChIKey is VWZQUSCIRWVLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20.C2HF6NO4S2/c1-3-5-7-9-8-6-4-2;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h3-9H2,1-2H3;9H.
What are the key properties of nonane;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
nonane;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide has a molecular weight of 409.41 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for nonane;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide is sourced from PubChem (CID 175845377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).