(E)-N-(2,2-dimethylpropyl)-2,2-difluoro-6-(2-methylpropoxy)hex-4-enamide

C15H27F2NO2 — CID 156566483

IUPAC(E)-N-(2,2-dimethylpropyl)-2,2-difluoro-6-(2-methylpropoxy)hex-4-enamide
SMILESCC(C)COC/C=C/CC(F)(F)C(=O)NCC(C)(C)C
InChIInChI=1S/C15H27F2NO2/c1-12(2)10-20-9-7-6-8-15(16,17)13(19)18-11-14(3,4)5/h6-7,12H,8-11H2,1-5H3,(H,18,19)/b7-6+
InChIKeyGUVACESZLRQBTF-VOTSOKGWSA-N
MW291.38 g/mol
LogP3.40
Rot. Bonds8

About (E)-N-(2,2-dimethylpropyl)-2,2-difluoro-6-(2-methylpropoxy)hex-4-enamide

(E)-N-(2,2-dimethylpropyl)-2,2-difluoro-6-(2-methylpropoxy)hex-4-enamide (PubChem CID 156566483) has the molecular formula C15H27F2NO2 and a molecular weight of 291.38 g/mol. Its IUPAC name is (E)-N-(2,2-dimethylpropyl)-2,2-difluoro-6-(2-methylpropoxy)hex-4-enamide.

Molecular Properties

Compound Name(E)-N-(2,2-dimethylpropyl)-2,2-difluoro-6-(2-methylpropoxy)hex-4-enamide
PubChem CID156566483
Molecular FormulaC15H27F2NO2
Molecular Weight291.38 g/mol
Exact Mass291.20
IUPAC Name(E)-N-(2,2-dimethylpropyl)-2,2-difluoro-6-(2-methylpropoxy)hex-4-enamide
SMILESCC(C)COC/C=C/CC(F)(F)C(=O)NCC(C)(C)C
InChIInChI=1S/C15H27F2NO2/c1-12(2)10-20-9-7-6-8-15(16,17)13(19)18-11-14(3,4)5/h6-7,12H,8-11H2,1-5H3,(H,18,19)/b7-6+
InChIKeyGUVACESZLRQBTF-VOTSOKGWSA-N
XLogP3.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 53.40
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 (E)-N-(2,2-dimethylpropyl)-2,2-difluoro-6-(2-methylpropoxy)hex-4-enamide?
The IUPAC name of (E)-N-(2,2-dimethylpropyl)-2,2-difluoro-6-(2-methylpropoxy)hex-4-enamide (CID 156566483) is (E)-N-(2,2-dimethylpropyl)-2,2-difluoro-6-(2-methylpropoxy)hex-4-enamide.
What is the SMILES notation for (E)-N-(2,2-dimethylpropyl)-2,2-difluoro-6-(2-methylpropoxy)hex-4-enamide?
The canonical SMILES for (E)-N-(2,2-dimethylpropyl)-2,2-difluoro-6-(2-methylpropoxy)hex-4-enamide is CC(C)COC/C=C/CC(F)(F)C(=O)NCC(C)(C)C.
What is the InChIKey of (E)-N-(2,2-dimethylpropyl)-2,2-difluoro-6-(2-methylpropoxy)hex-4-enamide?
The InChIKey is GUVACESZLRQBTF-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H27F2NO2/c1-12(2)10-20-9-7-6-8-15(16,17)13(19)18-11-14(3,4)5/h6-7,12H,8-11H2,1-5H3,(H,18,19)/b7-6+.
What are the key properties of (E)-N-(2,2-dimethylpropyl)-2,2-difluoro-6-(2-methylpropoxy)hex-4-enamide?
(E)-N-(2,2-dimethylpropyl)-2,2-difluoro-6-(2-methylpropoxy)hex-4-enamide has a molecular weight of 291.38 g/mol, XLogP of 3.40, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2,2-dimethylpropyl)-2,2-difluoro-6-(2-methylpropoxy)hex-4-enamide is sourced from PubChem (CID 156566483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).