2,3-dimethylbutan-2-amine;trifluoromethanesulfonamide

C7H17F3N2O2S — CID 87657307

IUPAC2,3-dimethylbutan-2-amine;trifluoromethanesulfonamide
SMILESCC(C)C(C)(C)N.NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C6H15N.CH2F3NO2S/c1-5(2)6(3,4)7;2-1(3,4)8(5,6)7/h5H,7H2,1-4H3;(H2,5,6,7)
InChIKeyZTTZRTLDEBGAKQ-UHFFFAOYSA-N
MW250.29 g/mol
LogP1.17
Rot. Bonds1

About 2,3-dimethylbutan-2-amine;trifluoromethanesulfonamide

2,3-dimethylbutan-2-amine;trifluoromethanesulfonamide (PubChem CID 87657307) has the molecular formula C7H17F3N2O2S and a molecular weight of 250.29 g/mol. Its IUPAC name is 2,3-dimethylbutan-2-amine;trifluoromethanesulfonamide.

Molecular Properties

Compound Name2,3-dimethylbutan-2-amine;trifluoromethanesulfonamide
PubChem CID87657307
Molecular FormulaC7H17F3N2O2S
Molecular Weight250.29 g/mol
Exact Mass250.10
IUPAC Name2,3-dimethylbutan-2-amine;trifluoromethanesulfonamide
SMILESCC(C)C(C)(C)N.NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C6H15N.CH2F3NO2S/c1-5(2)6(3,4)7;2-1(3,4)8(5,6)7/h5H,7H2,1-4H3;(H2,5,6,7)
InChIKeyZTTZRTLDEBGAKQ-UHFFFAOYSA-N
XLogP1.17
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbutan-2-amine;trifluoromethanesulfonamide?
The IUPAC name of 2,3-dimethylbutan-2-amine;trifluoromethanesulfonamide (CID 87657307) is 2,3-dimethylbutan-2-amine;trifluoromethanesulfonamide.
What is the SMILES notation for 2,3-dimethylbutan-2-amine;trifluoromethanesulfonamide?
The canonical SMILES for 2,3-dimethylbutan-2-amine;trifluoromethanesulfonamide is CC(C)C(C)(C)N.NS(=O)(=O)C(F)(F)F.
What is the InChIKey of 2,3-dimethylbutan-2-amine;trifluoromethanesulfonamide?
The InChIKey is ZTTZRTLDEBGAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.CH2F3NO2S/c1-5(2)6(3,4)7;2-1(3,4)8(5,6)7/h5H,7H2,1-4H3;(H2,5,6,7).
What are the key properties of 2,3-dimethylbutan-2-amine;trifluoromethanesulfonamide?
2,3-dimethylbutan-2-amine;trifluoromethanesulfonamide has a molecular weight of 250.29 g/mol, XLogP of 1.17, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbutan-2-amine;trifluoromethanesulfonamide is sourced from PubChem (CID 87657307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).