3,3-dimethylbutan-1-amine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide

C8H16F6N2O4S2 — CID 171929469

IUPAC3,3-dimethylbutan-1-amine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
SMILESCC(C)(C)CCN.O=S(=O)(NS(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H15N.C2HF6NO4S2/c1-6(2,3)4-5-7;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h4-5,7H2,1-3H3;9H
InChIKeyDUFYOIGQJANLOZ-UHFFFAOYSA-N
MW382.35 g/mol
LogP1.66
Rot. Bonds3

About 3,3-dimethylbutan-1-amine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide

3,3-dimethylbutan-1-amine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide (PubChem CID 171929469) has the molecular formula C8H16F6N2O4S2 and a molecular weight of 382.35 g/mol. Its IUPAC name is 3,3-dimethylbutan-1-amine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide.

Molecular Properties

Compound Name3,3-dimethylbutan-1-amine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
PubChem CID171929469
Molecular FormulaC8H16F6N2O4S2
Molecular Weight382.35 g/mol
Exact Mass382.05
IUPAC Name3,3-dimethylbutan-1-amine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
SMILESCC(C)(C)CCN.O=S(=O)(NS(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H15N.C2HF6NO4S2/c1-6(2,3)4-5-7;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h4-5,7H2,1-3H3;9H
InChIKeyDUFYOIGQJANLOZ-UHFFFAOYSA-N
XLogP1.66
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.35
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylbutan-1-amine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
The IUPAC name of 3,3-dimethylbutan-1-amine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide (CID 171929469) is 3,3-dimethylbutan-1-amine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide.
What is the SMILES notation for 3,3-dimethylbutan-1-amine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
The canonical SMILES for 3,3-dimethylbutan-1-amine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide is CC(C)(C)CCN.O=S(=O)(NS(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,3-dimethylbutan-1-amine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
The InChIKey is DUFYOIGQJANLOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.C2HF6NO4S2/c1-6(2,3)4-5-7;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h4-5,7H2,1-3H3;9H.
What are the key properties of 3,3-dimethylbutan-1-amine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
3,3-dimethylbutan-1-amine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide has a molecular weight of 382.35 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylbutan-1-amine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide is sourced from PubChem (CID 171929469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).