1-ethoxy-2,2,2-trifluoro-N,N-dimethylethanamine

C6H12F3NO — CID 138517374

IUPAC1-ethoxy-2,2,2-trifluoro-N,N-dimethylethanamine
SMILESCCOC(N(C)C)C(F)(F)F
InChIInChI=1S/C6H12F3NO/c1-4-11-5(10(2)3)6(7,8)9/h5H,4H2,1-3H3
InChIKeyGGAPNAFGPXTINP-UHFFFAOYSA-N
MW171.16 g/mol
LogP1.47
Rot. Bonds3

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

1-ethoxy-2,2,2-trifluoro-N,N-dimethylethanamine (PubChem CID 138517374) has the molecular formula C6H12F3NO and a molecular weight of 171.16 g/mol. Its IUPAC name is 1-ethoxy-2,2,2-trifluoro-N,N-dimethylethanamine.

Molecular Properties

Compound Name1-ethoxy-2,2,2-trifluoro-N,N-dimethylethanamine
PubChem CID138517374
Molecular FormulaC6H12F3NO
Molecular Weight171.16 g/mol
Exact Mass171.09
IUPAC Name1-ethoxy-2,2,2-trifluoro-N,N-dimethylethanamine
SMILESCCOC(N(C)C)C(F)(F)F
InChIInChI=1S/C6H12F3NO/c1-4-11-5(10(2)3)6(7,8)9/h5H,4H2,1-3H3
InChIKeyGGAPNAFGPXTINP-UHFFFAOYSA-N
XLogP1.47
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 51.47
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 1-ethoxy-2,2,2-trifluoro-N,N-dimethylethanamine?
The IUPAC name of 1-ethoxy-2,2,2-trifluoro-N,N-dimethylethanamine (CID 138517374) is 1-ethoxy-2,2,2-trifluoro-N,N-dimethylethanamine.
What is the SMILES notation for 1-ethoxy-2,2,2-trifluoro-N,N-dimethylethanamine?
The canonical SMILES for 1-ethoxy-2,2,2-trifluoro-N,N-dimethylethanamine is CCOC(N(C)C)C(F)(F)F.
What is the InChIKey of 1-ethoxy-2,2,2-trifluoro-N,N-dimethylethanamine?
The InChIKey is GGAPNAFGPXTINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3NO/c1-4-11-5(10(2)3)6(7,8)9/h5H,4H2,1-3H3.
What are the key properties of 1-ethoxy-2,2,2-trifluoro-N,N-dimethylethanamine?
1-ethoxy-2,2,2-trifluoro-N,N-dimethylethanamine has a molecular weight of 171.16 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2,2,2-trifluoro-N,N-dimethylethanamine is sourced from PubChem (CID 138517374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).