5,5,5-trifluoro-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine

C9H16F3NO — CID 79607147

IUPAC5,5,5-trifluoro-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine
SMILESCOCCNCCC=C(C)C(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-8(9(10,11)12)4-3-5-13-6-7-14-2/h4,13H,3,5-7H2,1-2H3
InChIKeyHNSZBKZZSCOOHJ-UHFFFAOYSA-N
MW211.23 g/mol
LogP2.12
Rot. Bonds6

About 5,5,5-trifluoro-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine

5,5,5-trifluoro-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine (PubChem CID 79607147) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 5,5,5-trifluoro-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine
PubChem CID79607147
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name5,5,5-trifluoro-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine
SMILESCOCCNCCC=C(C)C(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-8(9(10,11)12)4-3-5-13-6-7-14-2/h4,13H,3,5-7H2,1-2H3
InChIKeyHNSZBKZZSCOOHJ-UHFFFAOYSA-N
XLogP2.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 52.12
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)-4-methylpent-3-en-1-amine?
The IUPAC name of 5,5,5-trifluoro-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine (CID 79607147) is 5,5,5-trifluoro-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine.
What is the SMILES notation for 5,5,5-trifluoro-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine?
The canonical SMILES for 5,5,5-trifluoro-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine is COCCNCCC=C(C)C(F)(F)F.
What is the InChIKey of 5,5,5-trifluoro-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine?
The InChIKey is HNSZBKZZSCOOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-8(9(10,11)12)4-3-5-13-6-7-14-2/h4,13H,3,5-7H2,1-2H3.
What are the key properties of 5,5,5-trifluoro-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine?
5,5,5-trifluoro-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine has a molecular weight of 211.23 g/mol, XLogP of 2.12, 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)-4-methylpent-3-en-1-amine is sourced from PubChem (CID 79607147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).