N-ethyl-N-propan-2-ylpropan-2-amine;trifluoromethanesulfonic acid

C9H20F3NO3S — CID 13467919

IUPACN-ethyl-N-propan-2-ylpropan-2-amine;trifluoromethanesulfonic acid
SMILESCCN(C(C)C)C(C)C.O=S(=O)(O)C(F)(F)F
InChIInChI=1S/C8H19N.CHF3O3S/c1-6-9(7(2)3)8(4)5;2-1(3,4)8(5,6)7/h7-8H,6H2,1-5H3;(H,5,6,7)
InChIKeyGHOPTXGTPKQQFP-UHFFFAOYSA-N
MW279.32 g/mol
LogP2.52
Rot. Bonds3

About N-ethyl-N-propan-2-ylpropan-2-amine;trifluoromethanesulfonic acid

N-ethyl-N-propan-2-ylpropan-2-amine;trifluoromethanesulfonic acid (PubChem CID 13467919) has the molecular formula C9H20F3NO3S and a molecular weight of 279.32 g/mol. Its IUPAC name is N-ethyl-N-propan-2-ylpropan-2-amine;trifluoromethanesulfonic acid.

Molecular Properties

Compound NameN-ethyl-N-propan-2-ylpropan-2-amine;trifluoromethanesulfonic acid
PubChem CID13467919
Molecular FormulaC9H20F3NO3S
Molecular Weight279.32 g/mol
Exact Mass279.11
IUPAC NameN-ethyl-N-propan-2-ylpropan-2-amine;trifluoromethanesulfonic acid
SMILESCCN(C(C)C)C(C)C.O=S(=O)(O)C(F)(F)F
InChIInChI=1S/C8H19N.CHF3O3S/c1-6-9(7(2)3)8(4)5;2-1(3,4)8(5,6)7/h7-8H,6H2,1-5H3;(H,5,6,7)
InChIKeyGHOPTXGTPKQQFP-UHFFFAOYSA-N
XLogP2.52
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Related Compounds

N,N-Dimethyl-N-(propan-2-yl)propan-2-aminium nonafluorobutane-1-sulfonate
CID 21079907
Tetraethylammonium trifluoromethanesulphonate
CID 2776566
Methanesulfonic acid, 1,1,1-trifluoro-, compd. with N,N-diethylethanamine (1:1)
CID 71565
2-[Di(propan-2-yl)amino]acetonitrile;trifluoromethanesulfonic acid
CID 162622231
Tetrabutylammonium trifluoromethanesulfonate, >=99.0% (T)
CID 617967
Tetrapropylammonium trifluoromethanesulphonate
CID 3084619
Ethyl-methyl-di(propan-2-yl)azanium;trifluoromethanesulfonate
CID 11300844
Triethylmethylammonium triflate
CID 11402856
Methyl(tripropyl)azanium;trifluoromethanesulfonate
CID 11771226
N,N-dibutylbutan-1-amine;trifluoromethanesulfonic acid
CID 12856128
Tetraethylammonium trifluoromethanesulfonate, >=98.0% (T)
CID 17935316
Ethyl-methyl-di(propan-2-yl)azanium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 21079908

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-propan-2-ylpropan-2-amine;trifluoromethanesulfonic acid?
The IUPAC name of N-ethyl-N-propan-2-ylpropan-2-amine;trifluoromethanesulfonic acid (CID 13467919) is N-ethyl-N-propan-2-ylpropan-2-amine;trifluoromethanesulfonic acid.
What is the SMILES notation for N-ethyl-N-propan-2-ylpropan-2-amine;trifluoromethanesulfonic acid?
The canonical SMILES for N-ethyl-N-propan-2-ylpropan-2-amine;trifluoromethanesulfonic acid is CCN(C(C)C)C(C)C.O=S(=O)(O)C(F)(F)F.
What is the InChIKey of N-ethyl-N-propan-2-ylpropan-2-amine;trifluoromethanesulfonic acid?
The InChIKey is GHOPTXGTPKQQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N.CHF3O3S/c1-6-9(7(2)3)8(4)5;2-1(3,4)8(5,6)7/h7-8H,6H2,1-5H3;(H,5,6,7).
What are the key properties of N-ethyl-N-propan-2-ylpropan-2-amine;trifluoromethanesulfonic acid?
N-ethyl-N-propan-2-ylpropan-2-amine;trifluoromethanesulfonic acid has a molecular weight of 279.32 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-propan-2-ylpropan-2-amine;trifluoromethanesulfonic acid is sourced from PubChem (CID 13467919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).