7,7,7-trifluoro-N-(2-methoxyethyl)-4-methylhept-3-en-1-amine

C11H20F3NO — CID 79607314

IUPAC7,7,7-trifluoro-N-(2-methoxyethyl)-4-methylhept-3-en-1-amine
SMILESCOCCNCCC=C(C)CCC(F)(F)F
InChIInChI=1S/C11H20F3NO/c1-10(5-6-11(12,13)14)4-3-7-15-8-9-16-2/h4,15H,3,5-9H2,1-2H3
InChIKeyASYVJCUYBMGBJU-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.90
Rot. Bonds8

About 7,7,7-trifluoro-N-(2-methoxyethyl)-4-methylhept-3-en-1-amine

7,7,7-trifluoro-N-(2-methoxyethyl)-4-methylhept-3-en-1-amine (PubChem CID 79607314) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 7,7,7-trifluoro-N-(2-methoxyethyl)-4-methylhept-3-en-1-amine.

Molecular Properties

Compound Name7,7,7-trifluoro-N-(2-methoxyethyl)-4-methylhept-3-en-1-amine
PubChem CID79607314
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name7,7,7-trifluoro-N-(2-methoxyethyl)-4-methylhept-3-en-1-amine
SMILESCOCCNCCC=C(C)CCC(F)(F)F
InChIInChI=1S/C11H20F3NO/c1-10(5-6-11(12,13)14)4-3-7-15-8-9-16-2/h4,15H,3,5-9H2,1-2H3
InChIKeyASYVJCUYBMGBJU-UHFFFAOYSA-N
XLogP2.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.90
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 7,7,7-trifluoro-N-(2-methoxyethyl)-4-methylhept-3-en-1-amine?
The IUPAC name of 7,7,7-trifluoro-N-(2-methoxyethyl)-4-methylhept-3-en-1-amine (CID 79607314) is 7,7,7-trifluoro-N-(2-methoxyethyl)-4-methylhept-3-en-1-amine.
What is the SMILES notation for 7,7,7-trifluoro-N-(2-methoxyethyl)-4-methylhept-3-en-1-amine?
The canonical SMILES for 7,7,7-trifluoro-N-(2-methoxyethyl)-4-methylhept-3-en-1-amine is COCCNCCC=C(C)CCC(F)(F)F.
What is the InChIKey of 7,7,7-trifluoro-N-(2-methoxyethyl)-4-methylhept-3-en-1-amine?
The InChIKey is ASYVJCUYBMGBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-10(5-6-11(12,13)14)4-3-7-15-8-9-16-2/h4,15H,3,5-9H2,1-2H3.
What are the key properties of 7,7,7-trifluoro-N-(2-methoxyethyl)-4-methylhept-3-en-1-amine?
7,7,7-trifluoro-N-(2-methoxyethyl)-4-methylhept-3-en-1-amine has a molecular weight of 239.28 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7,7-trifluoro-N-(2-methoxyethyl)-4-methylhept-3-en-1-amine is sourced from PubChem (CID 79607314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).