2,2,2-trifluoro-N-propoxyethanamine

C5H10F3NO — CID 130705391

IUPAC2,2,2-trifluoro-N-propoxyethanamine
SMILESCCCONCC(F)(F)F
InChIInChI=1S/C5H10F3NO/c1-2-3-10-9-4-5(6,7)8/h9H,2-4H2,1H3
InChIKeyYMTHIQHIYZOAOY-UHFFFAOYSA-N
MW157.13 g/mol
LogP1.48
Rot. Bonds4

About 2,2,2-trifluoro-N-propoxyethanamine

2,2,2-trifluoro-N-propoxyethanamine (PubChem CID 130705391) has the molecular formula C5H10F3NO and a molecular weight of 157.13 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-propoxyethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-propoxyethanamine
PubChem CID130705391
Molecular FormulaC5H10F3NO
Molecular Weight157.13 g/mol
Exact Mass157.07
IUPAC Name2,2,2-trifluoro-N-propoxyethanamine
SMILESCCCONCC(F)(F)F
InChIInChI=1S/C5H10F3NO/c1-2-3-10-9-4-5(6,7)8/h9H,2-4H2,1H3
InChIKeyYMTHIQHIYZOAOY-UHFFFAOYSA-N
XLogP1.48
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 ≤ 51.48
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 2,2,2-trifluoro-N-propoxyethanamine?
The IUPAC name of 2,2,2-trifluoro-N-propoxyethanamine (CID 130705391) is 2,2,2-trifluoro-N-propoxyethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-propoxyethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-propoxyethanamine is CCCONCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-propoxyethanamine?
The InChIKey is YMTHIQHIYZOAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3NO/c1-2-3-10-9-4-5(6,7)8/h9H,2-4H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-propoxyethanamine?
2,2,2-trifluoro-N-propoxyethanamine has a molecular weight of 157.13 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-propoxyethanamine is sourced from PubChem (CID 130705391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).