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

C6H12F3NO — CID 61492431

IUPACN-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCCNCCOCC(F)(F)F
InChIInChI=1S/C6H12F3NO/c1-2-10-3-4-11-5-6(7,8)9/h10H,2-5H2,1H3
InChIKeyXNDYNWJUNHDLGB-UHFFFAOYSA-N
MW171.16 g/mol
LogP1.17
Rot. Bonds5

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

N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 61492431) has the molecular formula C6H12F3NO and a molecular weight of 171.16 g/mol. Its IUPAC name is N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID61492431
Molecular FormulaC6H12F3NO
Molecular Weight171.16 g/mol
Exact Mass171.09
IUPAC NameN-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCCNCCOCC(F)(F)F
InChIInChI=1S/C6H12F3NO/c1-2-10-3-4-11-5-6(7,8)9/h10H,2-5H2,1H3
InChIKeyXNDYNWJUNHDLGB-UHFFFAOYSA-N
XLogP1.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine (CID 61492431) is N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine is CCNCCOCC(F)(F)F.
What is the InChIKey of N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is XNDYNWJUNHDLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3NO/c1-2-10-3-4-11-5-6(7,8)9/h10H,2-5H2,1H3.
What are the key properties of N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine?
N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 171.16 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 61492431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).