2,3-dimethylpentan-2-amine;trifluoromethanesulfonamide

C8H19F3N2O2S — CID 87673945

IUPAC2,3-dimethylpentan-2-amine;trifluoromethanesulfonamide
SMILESCCC(C)C(C)(C)N.NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H17N.CH2F3NO2S/c1-5-6(2)7(3,4)8;2-1(3,4)8(5,6)7/h6H,5,8H2,1-4H3;(H2,5,6,7)
InChIKeyKXDZLBUECMAKBA-UHFFFAOYSA-N
MW264.31 g/mol
LogP1.56
Rot. Bonds2

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

2,3-dimethylpentan-2-amine;trifluoromethanesulfonamide (PubChem CID 87673945) has the molecular formula C8H19F3N2O2S and a molecular weight of 264.31 g/mol. Its IUPAC name is 2,3-dimethylpentan-2-amine;trifluoromethanesulfonamide.

Molecular Properties

Compound Name2,3-dimethylpentan-2-amine;trifluoromethanesulfonamide
PubChem CID87673945
Molecular FormulaC8H19F3N2O2S
Molecular Weight264.31 g/mol
Exact Mass264.11
IUPAC Name2,3-dimethylpentan-2-amine;trifluoromethanesulfonamide
SMILESCCC(C)C(C)(C)N.NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H17N.CH2F3NO2S/c1-5-6(2)7(3,4)8;2-1(3,4)8(5,6)7/h6H,5,8H2,1-4H3;(H2,5,6,7)
InChIKeyKXDZLBUECMAKBA-UHFFFAOYSA-N
XLogP1.56
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylpentan-2-amine;trifluoromethanesulfonamide?
The IUPAC name of 2,3-dimethylpentan-2-amine;trifluoromethanesulfonamide (CID 87673945) is 2,3-dimethylpentan-2-amine;trifluoromethanesulfonamide.
What is the SMILES notation for 2,3-dimethylpentan-2-amine;trifluoromethanesulfonamide?
The canonical SMILES for 2,3-dimethylpentan-2-amine;trifluoromethanesulfonamide is CCC(C)C(C)(C)N.NS(=O)(=O)C(F)(F)F.
What is the InChIKey of 2,3-dimethylpentan-2-amine;trifluoromethanesulfonamide?
The InChIKey is KXDZLBUECMAKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N.CH2F3NO2S/c1-5-6(2)7(3,4)8;2-1(3,4)8(5,6)7/h6H,5,8H2,1-4H3;(H2,5,6,7).
What are the key properties of 2,3-dimethylpentan-2-amine;trifluoromethanesulfonamide?
2,3-dimethylpentan-2-amine;trifluoromethanesulfonamide has a molecular weight of 264.31 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylpentan-2-amine;trifluoromethanesulfonamide is sourced from PubChem (CID 87673945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).