N-ethyl-N-propan-2-ylpropan-2-amine;2,2,2-trifluoroacetic acid

C10H20F3NO2 — CID 12593398

IUPACN-ethyl-N-propan-2-ylpropan-2-amine;2,2,2-trifluoroacetic acid
SMILESCCN(C(C)C)C(C)C.O=C(O)C(F)(F)F
InChIInChI=1S/C8H19N.C2HF3O2/c1-6-9(7(2)3)8(4)5;3-2(4,5)1(6)7/h7-8H,6H2,1-5H3;(H,6,7)
InChIKeyKREFAVONBNQDAS-UHFFFAOYSA-N
MW243.27 g/mol
LogP2.76
Rot. Bonds3

About N-ethyl-N-propan-2-ylpropan-2-amine;2,2,2-trifluoroacetic acid

N-ethyl-N-propan-2-ylpropan-2-amine;2,2,2-trifluoroacetic acid (PubChem CID 12593398) has the molecular formula C10H20F3NO2 and a molecular weight of 243.27 g/mol. Its IUPAC name is N-ethyl-N-propan-2-ylpropan-2-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-ethyl-N-propan-2-ylpropan-2-amine;2,2,2-trifluoroacetic acid
PubChem CID12593398
Molecular FormulaC10H20F3NO2
Molecular Weight243.27 g/mol
Exact Mass243.14
IUPAC NameN-ethyl-N-propan-2-ylpropan-2-amine;2,2,2-trifluoroacetic acid
SMILESCCN(C(C)C)C(C)C.O=C(O)C(F)(F)F
InChIInChI=1S/C8H19N.C2HF3O2/c1-6-9(7(2)3)8(4)5;3-2(4,5)1(6)7/h7-8H,6H2,1-5H3;(H,6,7)
InChIKeyKREFAVONBNQDAS-UHFFFAOYSA-N
XLogP2.76
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Triethylamine; trifluoroacetic acid
CID 12210277
Tetraethylammonium trifluoroacetate
CID 16212720
Diisopropylethylamine-acetate
CID 11506599
Diisopropylamine 2,2,2-trifluoroacetate
CID 12202997
acetonitrile;N,N-diethylethanamine;2,2,2-trifluoroacetic acid;hydrate
CID 19011121
Tetrapropylazanium;2,2,2-trifluoroacetate
CID 21902798
Ethyl-dimethyl-propylazanium;2,2,2-trifluoroacetate
CID 22062392
N,N-dimethylbutan-1-amine;2,2,2-trifluoroacetic acid
CID 22623627
N,N-dipropylpropan-1-amine;2,2,2-trifluoroacetic acid
CID 85804201
N,N-dibutylbutan-1-amine;2,2,2-trifluoroacetic acid
CID 85804204
N,N-diethylethanamine;bis(2,2,2-trifluoroacetic acid)
CID 87561919
N,N-diethylethanamine;ethanol;2,2,2-trifluoroacetic acid
CID 88006697

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-propan-2-ylpropan-2-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of N-ethyl-N-propan-2-ylpropan-2-amine;2,2,2-trifluoroacetic acid (CID 12593398) is N-ethyl-N-propan-2-ylpropan-2-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-ethyl-N-propan-2-ylpropan-2-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-ethyl-N-propan-2-ylpropan-2-amine;2,2,2-trifluoroacetic acid is CCN(C(C)C)C(C)C.O=C(O)C(F)(F)F.
What is the InChIKey of N-ethyl-N-propan-2-ylpropan-2-amine;2,2,2-trifluoroacetic acid?
The InChIKey is KREFAVONBNQDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N.C2HF3O2/c1-6-9(7(2)3)8(4)5;3-2(4,5)1(6)7/h7-8H,6H2,1-5H3;(H,6,7).
What are the key properties of N-ethyl-N-propan-2-ylpropan-2-amine;2,2,2-trifluoroacetic acid?
N-ethyl-N-propan-2-ylpropan-2-amine;2,2,2-trifluoroacetic acid has a molecular weight of 243.27 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-propan-2-ylpropan-2-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 12593398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).