5,5,5-trifluoro-N-(2-methoxyethyl)pent-3-en-1-amine

C8H14F3NO — CID 79598929

IUPAC5,5,5-trifluoro-N-(2-methoxyethyl)pent-3-en-1-amine
SMILESCOCCNCCC=CC(F)(F)F
InChIInChI=1S/C8H14F3NO/c1-13-7-6-12-5-3-2-4-8(9,10)11/h2,4,12H,3,5-7H2,1H3
InChIKeyQEOAHKKJOGNCML-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.73
Rot. Bonds6

About 5,5,5-trifluoro-N-(2-methoxyethyl)pent-3-en-1-amine

5,5,5-trifluoro-N-(2-methoxyethyl)pent-3-en-1-amine (PubChem CID 79598929) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is 5,5,5-trifluoro-N-(2-methoxyethyl)pent-3-en-1-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-N-(2-methoxyethyl)pent-3-en-1-amine
PubChem CID79598929
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name5,5,5-trifluoro-N-(2-methoxyethyl)pent-3-en-1-amine
SMILESCOCCNCCC=CC(F)(F)F
InChIInChI=1S/C8H14F3NO/c1-13-7-6-12-5-3-2-4-8(9,10)11/h2,4,12H,3,5-7H2,1H3
InChIKeyQEOAHKKJOGNCML-UHFFFAOYSA-N
XLogP1.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-N-(2-methoxyethyl)pent-3-en-1-amine?
The IUPAC name of 5,5,5-trifluoro-N-(2-methoxyethyl)pent-3-en-1-amine (CID 79598929) is 5,5,5-trifluoro-N-(2-methoxyethyl)pent-3-en-1-amine.
What is the SMILES notation for 5,5,5-trifluoro-N-(2-methoxyethyl)pent-3-en-1-amine?
The canonical SMILES for 5,5,5-trifluoro-N-(2-methoxyethyl)pent-3-en-1-amine is COCCNCCC=CC(F)(F)F.
What is the InChIKey of 5,5,5-trifluoro-N-(2-methoxyethyl)pent-3-en-1-amine?
The InChIKey is QEOAHKKJOGNCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c1-13-7-6-12-5-3-2-4-8(9,10)11/h2,4,12H,3,5-7H2,1H3.
What are the key properties of 5,5,5-trifluoro-N-(2-methoxyethyl)pent-3-en-1-amine?
5,5,5-trifluoro-N-(2-methoxyethyl)pent-3-en-1-amine has a molecular weight of 197.20 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-N-(2-methoxyethyl)pent-3-en-1-amine is sourced from PubChem (CID 79598929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).