N,N-dimethylmethanamine;2,2,2-trifluoroacetic acid;hydrochloride

C5H11ClF3NO2 — CID 159443818

IUPACN,N-dimethylmethanamine;2,2,2-trifluoroacetic acid;hydrochloride
SMILESCN(C)C.Cl.O=C(O)C(F)(F)F
InChIInChI=1S/C3H9N.C2HF3O2.ClH/c1-4(2)3;3-2(4,5)1(6)7;/h1-3H3;(H,6,7);1H
InChIKeyLSMUPXYACGDELT-UHFFFAOYSA-N
MW209.59 g/mol
LogP1.23
Rot. Bonds

About N,N-dimethylmethanamine;2,2,2-trifluoroacetic acid;hydrochloride

N,N-dimethylmethanamine;2,2,2-trifluoroacetic acid;hydrochloride (PubChem CID 159443818) has the molecular formula C5H11ClF3NO2 and a molecular weight of 209.59 g/mol. Its IUPAC name is N,N-dimethylmethanamine;2,2,2-trifluoroacetic acid;hydrochloride.

Molecular Properties

Compound NameN,N-dimethylmethanamine;2,2,2-trifluoroacetic acid;hydrochloride
PubChem CID159443818
Molecular FormulaC5H11ClF3NO2
Molecular Weight209.59 g/mol
Exact Mass209.04
IUPAC NameN,N-dimethylmethanamine;2,2,2-trifluoroacetic acid;hydrochloride
SMILESCN(C)C.Cl.O=C(O)C(F)(F)F
InChIInChI=1S/C3H9N.C2HF3O2.ClH/c1-4(2)3;3-2(4,5)1(6)7;/h1-3H3;(H,6,7);1H
InChIKeyLSMUPXYACGDELT-UHFFFAOYSA-N
XLogP1.23
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.59
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethylethanamine;2,2,2-trifluoroacetic acid
CID 118626568
N,N-dimethylmethanamine;propanamide;2,2,2-trifluoroacetic acid
CID 174488749
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
erbium;tris(2,2,2-trifluoroacetic acid)
CID 118855690
azane;pentakis(2,2,2-trifluoroacetic acid)
CID 174693543
2,2,2-trifluoroacetic acid;trihydrofluoride
CID 171927516
CID 85392225
CID 85392225
sulfanium 2,2,2-trifluoroacetic acid
CID 158048002
bis(oxygen(2-));titanium(4+);2,2,2-trifluoroacetic acid
CID 157338255

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylmethanamine;2,2,2-trifluoroacetic acid;hydrochloride?
The IUPAC name of N,N-dimethylmethanamine;2,2,2-trifluoroacetic acid;hydrochloride (CID 159443818) is N,N-dimethylmethanamine;2,2,2-trifluoroacetic acid;hydrochloride.
What is the SMILES notation for N,N-dimethylmethanamine;2,2,2-trifluoroacetic acid;hydrochloride?
The canonical SMILES for N,N-dimethylmethanamine;2,2,2-trifluoroacetic acid;hydrochloride is CN(C)C.Cl.O=C(O)C(F)(F)F.
What is the InChIKey of N,N-dimethylmethanamine;2,2,2-trifluoroacetic acid;hydrochloride?
The InChIKey is LSMUPXYACGDELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N.C2HF3O2.ClH/c1-4(2)3;3-2(4,5)1(6)7;/h1-3H3;(H,6,7);1H.
What are the key properties of N,N-dimethylmethanamine;2,2,2-trifluoroacetic acid;hydrochloride?
N,N-dimethylmethanamine;2,2,2-trifluoroacetic acid;hydrochloride has a molecular weight of 209.59 g/mol, XLogP of 1.23, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylmethanamine;2,2,2-trifluoroacetic acid;hydrochloride is sourced from PubChem (CID 159443818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).