N-ethyl-2-(trifluoromethoxy)ethanamine

C5H10F3NO — CID 64984928

IUPACN-ethyl-2-(trifluoromethoxy)ethanamine
SMILESCCNCCOC(F)(F)F
InChIInChI=1S/C5H10F3NO/c1-2-9-3-4-10-5(6,7)8/h9H,2-4H2,1H3
InChIKeyIUCCXBBDLVDGBT-UHFFFAOYSA-N
MW157.13 g/mol
LogP1.13
Rot. Bonds4

About N-ethyl-2-(trifluoromethoxy)ethanamine

N-ethyl-2-(trifluoromethoxy)ethanamine (PubChem CID 64984928) has the molecular formula C5H10F3NO and a molecular weight of 157.13 g/mol. Its IUPAC name is N-ethyl-2-(trifluoromethoxy)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(trifluoromethoxy)ethanamine
PubChem CID64984928
Molecular FormulaC5H10F3NO
Molecular Weight157.13 g/mol
Exact Mass157.07
IUPAC NameN-ethyl-2-(trifluoromethoxy)ethanamine
SMILESCCNCCOC(F)(F)F
InChIInChI=1S/C5H10F3NO/c1-2-9-3-4-10-5(6,7)8/h9H,2-4H2,1H3
InChIKeyIUCCXBBDLVDGBT-UHFFFAOYSA-N
XLogP1.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.13
LogP ≤ 51.13
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-(trifluoromethoxy)ethanamine?
The IUPAC name of N-ethyl-2-(trifluoromethoxy)ethanamine (CID 64984928) is N-ethyl-2-(trifluoromethoxy)ethanamine.
What is the SMILES notation for N-ethyl-2-(trifluoromethoxy)ethanamine?
The canonical SMILES for N-ethyl-2-(trifluoromethoxy)ethanamine is CCNCCOC(F)(F)F.
What is the InChIKey of N-ethyl-2-(trifluoromethoxy)ethanamine?
The InChIKey is IUCCXBBDLVDGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3NO/c1-2-9-3-4-10-5(6,7)8/h9H,2-4H2,1H3.
What are the key properties of N-ethyl-2-(trifluoromethoxy)ethanamine?
N-ethyl-2-(trifluoromethoxy)ethanamine has a molecular weight of 157.13 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(trifluoromethoxy)ethanamine is sourced from PubChem (CID 64984928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).