(E)-5-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-2,2-difluoropent-3-enamide

C15H27F2NO2 — CID 153306498

IUPAC(E)-5-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-2,2-difluoropent-3-enamide
SMILESCC(C)(C)CNC(=O)C(F)(F)/C=C/COCC(C)(C)C
InChIInChI=1S/C15H27F2NO2/c1-13(2,3)10-18-12(19)15(16,17)8-7-9-20-11-14(4,5)6/h7-8H,9-11H2,1-6H3,(H,18,19)/b8-7+
InChIKeyZMWHGHPFQRJCKZ-BQYQJAHWSA-N
MW291.38 g/mol
LogP3.40
Rot. Bonds6

About (E)-5-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-2,2-difluoropent-3-enamide

(E)-5-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-2,2-difluoropent-3-enamide (PubChem CID 153306498) has the molecular formula C15H27F2NO2 and a molecular weight of 291.38 g/mol. Its IUPAC name is (E)-5-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-2,2-difluoropent-3-enamide.

Molecular Properties

Compound Name(E)-5-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-2,2-difluoropent-3-enamide
PubChem CID153306498
Molecular FormulaC15H27F2NO2
Molecular Weight291.38 g/mol
Exact Mass291.20
IUPAC Name(E)-5-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-2,2-difluoropent-3-enamide
SMILESCC(C)(C)CNC(=O)C(F)(F)/C=C/COCC(C)(C)C
InChIInChI=1S/C15H27F2NO2/c1-13(2,3)10-18-12(19)15(16,17)8-7-9-20-11-14(4,5)6/h7-8H,9-11H2,1-6H3,(H,18,19)/b8-7+
InChIKeyZMWHGHPFQRJCKZ-BQYQJAHWSA-N
XLogP3.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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)-5-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-2,2-difluoropent-3-enamide?
The IUPAC name of (E)-5-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-2,2-difluoropent-3-enamide (CID 153306498) is (E)-5-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-2,2-difluoropent-3-enamide.
What is the SMILES notation for (E)-5-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-2,2-difluoropent-3-enamide?
The canonical SMILES for (E)-5-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-2,2-difluoropent-3-enamide is CC(C)(C)CNC(=O)C(F)(F)/C=C/COCC(C)(C)C.
What is the InChIKey of (E)-5-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-2,2-difluoropent-3-enamide?
The InChIKey is ZMWHGHPFQRJCKZ-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H27F2NO2/c1-13(2,3)10-18-12(19)15(16,17)8-7-9-20-11-14(4,5)6/h7-8H,9-11H2,1-6H3,(H,18,19)/b8-7+.
What are the key properties of (E)-5-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-2,2-difluoropent-3-enamide?
(E)-5-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-2,2-difluoropent-3-enamide has a molecular weight of 291.38 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-2,2-difluoropent-3-enamide is sourced from PubChem (CID 153306498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).