N-ethoxy-2,2,2-trifluoroethanamine

C4H8F3NO — CID 60744176

IUPACN-ethoxy-2,2,2-trifluoroethanamine
SMILESCCONCC(F)(F)F
InChIInChI=1S/C4H8F3NO/c1-2-9-8-3-4(5,6)7/h8H,2-3H2,1H3
InChIKeyBBOKZGVKFJSSAY-UHFFFAOYSA-N
MW143.11 g/mol
LogP1.09
Rot. Bonds3

About N-ethoxy-2,2,2-trifluoroethanamine

N-ethoxy-2,2,2-trifluoroethanamine (PubChem CID 60744176) has the molecular formula C4H8F3NO and a molecular weight of 143.11 g/mol. Its IUPAC name is N-ethoxy-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-ethoxy-2,2,2-trifluoroethanamine
PubChem CID60744176
Molecular FormulaC4H8F3NO
Molecular Weight143.11 g/mol
Exact Mass143.06
IUPAC NameN-ethoxy-2,2,2-trifluoroethanamine
SMILESCCONCC(F)(F)F
InChIInChI=1S/C4H8F3NO/c1-2-9-8-3-4(5,6)7/h8H,2-3H2,1H3
InChIKeyBBOKZGVKFJSSAY-UHFFFAOYSA-N
XLogP1.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.11
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethoxy-2,2,2-trifluoroethanamine?
The IUPAC name of N-ethoxy-2,2,2-trifluoroethanamine (CID 60744176) is N-ethoxy-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-ethoxy-2,2,2-trifluoroethanamine?
The canonical SMILES for N-ethoxy-2,2,2-trifluoroethanamine is CCONCC(F)(F)F.
What is the InChIKey of N-ethoxy-2,2,2-trifluoroethanamine?
The InChIKey is BBOKZGVKFJSSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F3NO/c1-2-9-8-3-4(5,6)7/h8H,2-3H2,1H3.
What are the key properties of N-ethoxy-2,2,2-trifluoroethanamine?
N-ethoxy-2,2,2-trifluoroethanamine has a molecular weight of 143.11 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-2,2,2-trifluoroethanamine is sourced from PubChem (CID 60744176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).