N-[3-(dimethylamino)-2,2-dimethylpropyl]-1,1,2,2,3,3-hexafluoro-N-methylbutane-1-sulfonamide;4-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-N,N,2,2-tetramethylbutan-1-amine

C24H43F12N3O4S2 — CID 163589749

IUPACN-[3-(dimethylamino)-2,2-dimethylpropyl]-1,1,2,2,3,3-hexafluoro-N-methylbutane-1-sulfonamide;4-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-N,N,2,2-tetramethylbutan-1-amine
SMILESCN(C)CC(C)(C)CCS(=O)(=O)C(F)(F)C(F)(F)C(C)(F)F.CN(C)CC(C)(C)CN(C)S(=O)(=O)C(F)(F)C(F)(F)C(C)(F)F
InChIInChI=1S/C12H22F6N2O2S.C12H21F6NO2S/c1-9(2,7-19(4)5)8-20(6)23(21,22)12(17,18)11(15,16)10(3,13)14;1-9(2,8-19(4)5)6-7-22(20,21)12(17,18)11(15,16)10(3,13)14/h7-8H2,1-6H3;6-8H2,1-5H3
InChIKeyGONBNFJGGQTARZ-UHFFFAOYSA-N
MW729.73 g/mol
LogP5.98
Rot. Bonds16

About N-[3-(dimethylamino)-2,2-dimethylpropyl]-1,1,2,2,3,3-hexafluoro-N-methylbutane-1-sulfonamide;4-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-N,N,2,2-tetramethylbutan-1-amine

N-[3-(dimethylamino)-2,2-dimethylpropyl]-1,1,2,2,3,3-hexafluoro-N-methylbutane-1-sulfonamide;4-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-N,N,2,2-tetramethylbutan-1-amine (PubChem CID 163589749) has the molecular formula C24H43F12N3O4S2 and a molecular weight of 729.73 g/mol. Its IUPAC name is N-[3-(dimethylamino)-2,2-dimethylpropyl]-1,1,2,2,3,3-hexafluoro-N-methylbutane-1-sulfonamide;4-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-N,N,2,2-tetramethylbutan-1-amine.

Molecular Properties

Compound NameN-[3-(dimethylamino)-2,2-dimethylpropyl]-1,1,2,2,3,3-hexafluoro-N-methylbutane-1-sulfonamide;4-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-N,N,2,2-tetramethylbutan-1-amine
PubChem CID163589749
Molecular FormulaC24H43F12N3O4S2
Molecular Weight729.73 g/mol
Exact Mass729.25
IUPAC NameN-[3-(dimethylamino)-2,2-dimethylpropyl]-1,1,2,2,3,3-hexafluoro-N-methylbutane-1-sulfonamide;4-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-N,N,2,2-tetramethylbutan-1-amine
SMILESCN(C)CC(C)(C)CCS(=O)(=O)C(F)(F)C(F)(F)C(C)(F)F.CN(C)CC(C)(C)CN(C)S(=O)(=O)C(F)(F)C(F)(F)C(C)(F)F
InChIInChI=1S/C12H22F6N2O2S.C12H21F6NO2S/c1-9(2,7-19(4)5)8-20(6)23(21,22)12(17,18)11(15,16)10(3,13)14;1-9(2,8-19(4)5)6-7-22(20,21)12(17,18)11(15,16)10(3,13)14/h7-8H2,1-6H3;6-8H2,1-5H3
InChIKeyGONBNFJGGQTARZ-UHFFFAOYSA-N
XLogP5.98
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.73
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[3-(dimethylamino)-2,2-dimethylpropyl]-1,1,2,2,3,3-hexafluoro-N-methylbutane-1-sulfonamide;4-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-N,N,2,2-tetramethylbutan-1-amine with MolForge

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Related Compounds

1,1,2,2,3,3-hexafluorobutane-1-sulfonyl fluoride;4-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-N,N,2,2-tetramethylbutan-1-amine;N',N',2,2-tetramethylpropane-1,3-diamine
CID 163497014
N-[3-(diethylamino)propyl]-N-ethyl-1,1,2,2,3,3-hexafluorobutane-1-sulfonamide;N,N-diethyl-4-(1,1,2,2,3,3-hexafluorobutylsulfonyl)butan-1-amine
CID 163664719
N-[3-(diethylamino)propyl]-1,1,2,2,3,3-hexafluoro-N-methylbutane-1-sulfonamide;N,N-diethyl-4-(1,1,2,2,3,3-hexafluorobutylsulfonyl)butan-1-amine
CID 163795416
4-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-N,N,2,2-tetramethylbutan-1-amine
CID 163497015

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-2,2-dimethylpropyl]-1,1,2,2,3,3-hexafluoro-N-methylbutane-1-sulfonamide;4-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-N,N,2,2-tetramethylbutan-1-amine?
The IUPAC name of N-[3-(dimethylamino)-2,2-dimethylpropyl]-1,1,2,2,3,3-hexafluoro-N-methylbutane-1-sulfonamide;4-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-N,N,2,2-tetramethylbutan-1-amine (CID 163589749) is N-[3-(dimethylamino)-2,2-dimethylpropyl]-1,1,2,2,3,3-hexafluoro-N-methylbutane-1-sulfonamide;4-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-N,N,2,2-tetramethylbutan-1-amine.
What is the SMILES notation for N-[3-(dimethylamino)-2,2-dimethylpropyl]-1,1,2,2,3,3-hexafluoro-N-methylbutane-1-sulfonamide;4-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-N,N,2,2-tetramethylbutan-1-amine?
The canonical SMILES for N-[3-(dimethylamino)-2,2-dimethylpropyl]-1,1,2,2,3,3-hexafluoro-N-methylbutane-1-sulfonamide;4-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-N,N,2,2-tetramethylbutan-1-amine is CN(C)CC(C)(C)CCS(=O)(=O)C(F)(F)C(F)(F)C(C)(F)F.CN(C)CC(C)(C)CN(C)S(=O)(=O)C(F)(F)C(F)(F)C(C)(F)F.
What is the InChIKey of N-[3-(dimethylamino)-2,2-dimethylpropyl]-1,1,2,2,3,3-hexafluoro-N-methylbutane-1-sulfonamide;4-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-N,N,2,2-tetramethylbutan-1-amine?
The InChIKey is GONBNFJGGQTARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F6N2O2S.C12H21F6NO2S/c1-9(2,7-19(4)5)8-20(6)23(21,22)12(17,18)11(15,16)10(3,13)14;1-9(2,8-19(4)5)6-7-22(20,21)12(17,18)11(15,16)10(3,13)14/h7-8H2,1-6H3;6-8H2,1-5H3.
What are the key properties of N-[3-(dimethylamino)-2,2-dimethylpropyl]-1,1,2,2,3,3-hexafluoro-N-methylbutane-1-sulfonamide;4-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-N,N,2,2-tetramethylbutan-1-amine?
N-[3-(dimethylamino)-2,2-dimethylpropyl]-1,1,2,2,3,3-hexafluoro-N-methylbutane-1-sulfonamide;4-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-N,N,2,2-tetramethylbutan-1-amine has a molecular weight of 729.73 g/mol, XLogP of 5.98, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-2,2-dimethylpropyl]-1,1,2,2,3,3-hexafluoro-N-methylbutane-1-sulfonamide;4-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-N,N,2,2-tetramethylbutan-1-amine is sourced from PubChem (CID 163589749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).