2,2,2-trifluoro-1-methoxy-N,N-dimethylethanamine

C5H10F3NO — CID 102219162

IUPAC2,2,2-trifluoro-1-methoxy-N,N-dimethylethanamine
SMILESCOC(N(C)C)C(F)(F)F
InChIInChI=1S/C5H10F3NO/c1-9(2)4(10-3)5(6,7)8/h4H,1-3H3
InChIKeyLPYPCUOVBPXZNS-UHFFFAOYSA-N
MW157.13 g/mol
LogP1.08
Rot. Bonds2

About 2,2,2-trifluoro-1-methoxy-N,N-dimethylethanamine

2,2,2-trifluoro-1-methoxy-N,N-dimethylethanamine (PubChem CID 102219162) has the molecular formula C5H10F3NO and a molecular weight of 157.13 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-methoxy-N,N-dimethylethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-1-methoxy-N,N-dimethylethanamine
PubChem CID102219162
Molecular FormulaC5H10F3NO
Molecular Weight157.13 g/mol
Exact Mass157.07
IUPAC Name2,2,2-trifluoro-1-methoxy-N,N-dimethylethanamine
SMILESCOC(N(C)C)C(F)(F)F
InChIInChI=1S/C5H10F3NO/c1-9(2)4(10-3)5(6,7)8/h4H,1-3H3
InChIKeyLPYPCUOVBPXZNS-UHFFFAOYSA-N
XLogP1.08
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.13
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-methoxy-N,N-dimethylethanamine?
The IUPAC name of 2,2,2-trifluoro-1-methoxy-N,N-dimethylethanamine (CID 102219162) is 2,2,2-trifluoro-1-methoxy-N,N-dimethylethanamine.
What is the SMILES notation for 2,2,2-trifluoro-1-methoxy-N,N-dimethylethanamine?
The canonical SMILES for 2,2,2-trifluoro-1-methoxy-N,N-dimethylethanamine is COC(N(C)C)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-methoxy-N,N-dimethylethanamine?
The InChIKey is LPYPCUOVBPXZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3NO/c1-9(2)4(10-3)5(6,7)8/h4H,1-3H3.
What are the key properties of 2,2,2-trifluoro-1-methoxy-N,N-dimethylethanamine?
2,2,2-trifluoro-1-methoxy-N,N-dimethylethanamine has a molecular weight of 157.13 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-methoxy-N,N-dimethylethanamine is sourced from PubChem (CID 102219162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).