N,N-diethylethanamine;bis(2,2,2-trifluoroacetic acid)

C10H17F6NO4 — CID 87561919

IUPACN,N-diethylethanamine;bis(2,2,2-trifluoroacetic acid)
SMILESCCN(CC)CC.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C6H15N.2C2HF3O2/c1-4-7(5-2)6-3;2*3-2(4,5)1(6)7/h4-6H2,1-3H3;2*(H,6,7)
InChIKeyJDABZMNORDFESY-UHFFFAOYSA-N
MW329.24 g/mol
LogP2.61
Rot. Bonds3

About N,N-diethylethanamine;bis(2,2,2-trifluoroacetic acid)

N,N-diethylethanamine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 87561919) has the molecular formula C10H17F6NO4 and a molecular weight of 329.24 g/mol. Its IUPAC name is N,N-diethylethanamine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound NameN,N-diethylethanamine;bis(2,2,2-trifluoroacetic acid)
PubChem CID87561919
Molecular FormulaC10H17F6NO4
Molecular Weight329.24 g/mol
Exact Mass329.11
IUPAC NameN,N-diethylethanamine;bis(2,2,2-trifluoroacetic acid)
SMILESCCN(CC)CC.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C6H15N.2C2HF3O2/c1-4-7(5-2)6-3;2*3-2(4,5)1(6)7/h4-6H2,1-3H3;2*(H,6,7)
InChIKeyJDABZMNORDFESY-UHFFFAOYSA-N
XLogP2.61
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 12210277
Tetraethylammonium trifluoroacetate
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acetonitrile;N,N-diethylethanamine;2,2,2-trifluoroacetic acid;hydrate
CID 19011121
Tetraethylazanium;2,2,3,3-tetrafluoropropanoate
CID 23374836
Bis(2-hydroxyethyl)-dimethylazanium;2,2,2-trifluoroacetate
CID 57483586
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CID 85804201
N,N-dibutylbutan-1-amine;2,2,2-trifluoroacetic acid
CID 85804204
Diethylamino-acetic acid trifluoroacetate
CID 86640294
Bis(1-hydroxyethyl)-dimethylazanium;2,2,2-trifluoroacetate
CID 87466646
N,N-diethylethanamine;ethanol;2,2,2-trifluoroacetic acid
CID 88006697
N,N-dimethylethanamine;2,2,2-trifluoroacetic acid
CID 118626568

Frequently Asked Questions

What is the IUPAC name of N,N-diethylethanamine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of N,N-diethylethanamine;bis(2,2,2-trifluoroacetic acid) (CID 87561919) is N,N-diethylethanamine;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for N,N-diethylethanamine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for N,N-diethylethanamine;bis(2,2,2-trifluoroacetic acid) is CCN(CC)CC.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of N,N-diethylethanamine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is JDABZMNORDFESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.2C2HF3O2/c1-4-7(5-2)6-3;2*3-2(4,5)1(6)7/h4-6H2,1-3H3;2*(H,6,7).
What are the key properties of N,N-diethylethanamine;bis(2,2,2-trifluoroacetic acid)?
N,N-diethylethanamine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 329.24 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylethanamine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 87561919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).