N,N-dimethylethanamine;2,2,2-trifluoroacetic acid

C6H12F3NO2 — CID 118626568

IUPACN,N-dimethylethanamine;2,2,2-trifluoroacetic acid
SMILESCCN(C)C.O=C(O)C(F)(F)F
InChIInChI=1S/C4H11N.C2HF3O2/c1-4-5(2)3;3-2(4,5)1(6)7/h4H2,1-3H3;(H,6,7)
InChIKeyIKONTXIJTPFRLE-UHFFFAOYSA-N
MW187.16 g/mol
LogP1.20
Rot. Bonds1

About N,N-dimethylethanamine;2,2,2-trifluoroacetic acid

N,N-dimethylethanamine;2,2,2-trifluoroacetic acid (PubChem CID 118626568) has the molecular formula C6H12F3NO2 and a molecular weight of 187.16 g/mol. Its IUPAC name is N,N-dimethylethanamine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN,N-dimethylethanamine;2,2,2-trifluoroacetic acid
PubChem CID118626568
Molecular FormulaC6H12F3NO2
Molecular Weight187.16 g/mol
Exact Mass187.08
IUPAC NameN,N-dimethylethanamine;2,2,2-trifluoroacetic acid
SMILESCCN(C)C.O=C(O)C(F)(F)F
InChIInChI=1S/C4H11N.C2HF3O2/c1-4-5(2)3;3-2(4,5)1(6)7/h4H2,1-3H3;(H,6,7)
InChIKeyIKONTXIJTPFRLE-UHFFFAOYSA-N
XLogP1.20
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.16
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diethylethanamine;2,2,2-trifluoroacetic acid;hydrate
CID 175431120
N,N-dimethylmethanamine;2,2,2-trifluoroacetic acid;hydrochloride
CID 159443818
N,N-dimethylmethanamine;propanamide;2,2,2-trifluoroacetic acid
CID 174488749
ethanol;2,2,2-trifluoroacetic acid;hydrate
CID 18377865
ethylazanide;2,2,2-trifluoroacetic acid
CID 158033320
pentane;2,2,2-trifluoroacetic acid
CID 161039566
bis(propan-2-one);2,2,2-trifluoroacetic acid
CID 175331855
acetic acid;bis(2,2,2-trifluoroacetic acid)
CID 87799840
acetic acid;tris(2,2,2-trifluoroacetic acid)
CID 175705665
azane;tris(2,2,2-trifluoroacetic acid)
CID 175976837
azane;pentakis(2,2,2-trifluoroacetic acid)
CID 174693543
2,2,2-trifluoroacetic acid;trihydrofluoride
CID 171927516

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylethanamine;2,2,2-trifluoroacetic acid?
The IUPAC name of N,N-dimethylethanamine;2,2,2-trifluoroacetic acid (CID 118626568) is N,N-dimethylethanamine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N,N-dimethylethanamine;2,2,2-trifluoroacetic acid?
The canonical SMILES for N,N-dimethylethanamine;2,2,2-trifluoroacetic acid is CCN(C)C.O=C(O)C(F)(F)F.
What is the InChIKey of N,N-dimethylethanamine;2,2,2-trifluoroacetic acid?
The InChIKey is IKONTXIJTPFRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N.C2HF3O2/c1-4-5(2)3;3-2(4,5)1(6)7/h4H2,1-3H3;(H,6,7).
What are the key properties of N,N-dimethylethanamine;2,2,2-trifluoroacetic acid?
N,N-dimethylethanamine;2,2,2-trifluoroacetic acid has a molecular weight of 187.16 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylethanamine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118626568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).