2,2-dimethoxy-N-(2,2,2-trifluoroethoxy)ethanamine

C6H12F3NO3 — CID 82711571

IUPAC2,2-dimethoxy-N-(2,2,2-trifluoroethoxy)ethanamine
SMILESCOC(CNOCC(F)(F)F)OC
InChIInChI=1S/C6H12F3NO3/c1-11-5(12-2)3-10-13-4-6(7,8)9/h5,10H,3-4H2,1-2H3
InChIKeyGPADIPZBOOJYLH-UHFFFAOYSA-N
MW203.16 g/mol
LogP0.69
Rot. Bonds6

About 2,2-dimethoxy-N-(2,2,2-trifluoroethoxy)ethanamine

2,2-dimethoxy-N-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 82711571) has the molecular formula C6H12F3NO3 and a molecular weight of 203.16 g/mol. Its IUPAC name is 2,2-dimethoxy-N-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound Name2,2-dimethoxy-N-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID82711571
Molecular FormulaC6H12F3NO3
Molecular Weight203.16 g/mol
Exact Mass203.08
IUPAC Name2,2-dimethoxy-N-(2,2,2-trifluoroethoxy)ethanamine
SMILESCOC(CNOCC(F)(F)F)OC
InChIInChI=1S/C6H12F3NO3/c1-11-5(12-2)3-10-13-4-6(7,8)9/h5,10H,3-4H2,1-2H3
InChIKeyGPADIPZBOOJYLH-UHFFFAOYSA-N
XLogP0.69
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.16
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 55283429
CID 55283429
CID 65804967
CID 65804967
CID 65804969
CID 65804969
CID 82711021
CID 82711021
CID 82721265
CID 82721265
CID 82722855
CID 82722855
CID 165613471
CID 165613471
CID 21318341
CID 21318341
CID 87879134
CID 87879134
CID 176696751
CID 176696751
CID 81094639
CID 81094639
CID 81095084
CID 81095084

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethoxy-N-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of 2,2-dimethoxy-N-(2,2,2-trifluoroethoxy)ethanamine (CID 82711571) is 2,2-dimethoxy-N-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for 2,2-dimethoxy-N-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for 2,2-dimethoxy-N-(2,2,2-trifluoroethoxy)ethanamine is COC(CNOCC(F)(F)F)OC.
What is the InChIKey of 2,2-dimethoxy-N-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is GPADIPZBOOJYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3NO3/c1-11-5(12-2)3-10-13-4-6(7,8)9/h5,10H,3-4H2,1-2H3.
What are the key properties of 2,2-dimethoxy-N-(2,2,2-trifluoroethoxy)ethanamine?
2,2-dimethoxy-N-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 203.16 g/mol, XLogP of 0.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethoxy-N-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 82711571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).