4-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-N,N,2,2-tetramethylbutan-1-amine

C12H21F6NO2S — CID 163497015

IUPAC4-(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
InChIInChI=1S/C12H21F6NO2S/c1-9(2,8-19(4)5)6-7-22(20,21)12(17,18)11(15,16)10(3,13)14/h6-8H2,1-5H3
InChIKeyQTHVOPMDKCIQDR-UHFFFAOYSA-N
MW357.36 g/mol
LogP3.26
Rot. Bonds8

About 4-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-N,N,2,2-tetramethylbutan-1-amine

4-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-N,N,2,2-tetramethylbutan-1-amine (PubChem CID 163497015) has the molecular formula C12H21F6NO2S and a molecular weight of 357.36 g/mol. Its IUPAC name is 4-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-N,N,2,2-tetramethylbutan-1-amine.

Molecular Properties

Compound Name4-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-N,N,2,2-tetramethylbutan-1-amine
PubChem CID163497015
Molecular FormulaC12H21F6NO2S
Molecular Weight357.36 g/mol
Exact Mass357.12
IUPAC Name4-(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
InChIInChI=1S/C12H21F6NO2S/c1-9(2,8-19(4)5)6-7-22(20,21)12(17,18)11(15,16)10(3,13)14/h6-8H2,1-5H3
InChIKeyQTHVOPMDKCIQDR-UHFFFAOYSA-N
XLogP3.26
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-N,N,2,2-tetramethylbutan-1-amine?
The IUPAC name of 4-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-N,N,2,2-tetramethylbutan-1-amine (CID 163497015) is 4-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-N,N,2,2-tetramethylbutan-1-amine.
What is the SMILES notation for 4-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-N,N,2,2-tetramethylbutan-1-amine?
The canonical SMILES for 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.
What is the InChIKey of 4-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-N,N,2,2-tetramethylbutan-1-amine?
The InChIKey is QTHVOPMDKCIQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F6NO2S/c1-9(2,8-19(4)5)6-7-22(20,21)12(17,18)11(15,16)10(3,13)14/h6-8H2,1-5H3.
What are the key properties of 4-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-N,N,2,2-tetramethylbutan-1-amine?
4-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-N,N,2,2-tetramethylbutan-1-amine has a molecular weight of 357.36 g/mol, XLogP of 3.26, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-N,N,2,2-tetramethylbutan-1-amine is sourced from PubChem (CID 163497015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).