(E)-4-ethyl-8,8,8-trifluoro-7-methyloct-6-enamide

C11H18F3NO — CID 155276473

IUPAC(E)-4-ethyl-8,8,8-trifluoro-7-methyloct-6-enamide
SMILESCCC(C/C=C(\C)C(F)(F)F)CCC(N)=O
InChIInChI=1S/C11H18F3NO/c1-3-9(6-7-10(15)16)5-4-8(2)11(12,13)14/h4,9H,3,5-7H2,1-2H3,(H2,15,16)/b8-4+
InChIKeyAIWVNXZZHQTPFU-XBXARRHUSA-N
MW237.26 g/mol
LogP3.18
Rot. Bonds6

About (E)-4-ethyl-8,8,8-trifluoro-7-methyloct-6-enamide

(E)-4-ethyl-8,8,8-trifluoro-7-methyloct-6-enamide (PubChem CID 155276473) has the molecular formula C11H18F3NO and a molecular weight of 237.26 g/mol. Its IUPAC name is (E)-4-ethyl-8,8,8-trifluoro-7-methyloct-6-enamide.

Molecular Properties

Compound Name(E)-4-ethyl-8,8,8-trifluoro-7-methyloct-6-enamide
PubChem CID155276473
Molecular FormulaC11H18F3NO
Molecular Weight237.26 g/mol
Exact Mass237.13
IUPAC Name(E)-4-ethyl-8,8,8-trifluoro-7-methyloct-6-enamide
SMILESCCC(C/C=C(\C)C(F)(F)F)CCC(N)=O
InChIInChI=1S/C11H18F3NO/c1-3-9(6-7-10(15)16)5-4-8(2)11(12,13)14/h4,9H,3,5-7H2,1-2H3,(H2,15,16)/b8-4+
InChIKeyAIWVNXZZHQTPFU-XBXARRHUSA-N
XLogP3.18
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-4-ethyl-8,8,8-trifluoro-7-methyloct-6-enamide?
The IUPAC name of (E)-4-ethyl-8,8,8-trifluoro-7-methyloct-6-enamide (CID 155276473) is (E)-4-ethyl-8,8,8-trifluoro-7-methyloct-6-enamide.
What is the SMILES notation for (E)-4-ethyl-8,8,8-trifluoro-7-methyloct-6-enamide?
The canonical SMILES for (E)-4-ethyl-8,8,8-trifluoro-7-methyloct-6-enamide is CCC(C/C=C(\C)C(F)(F)F)CCC(N)=O.
What is the InChIKey of (E)-4-ethyl-8,8,8-trifluoro-7-methyloct-6-enamide?
The InChIKey is AIWVNXZZHQTPFU-XBXARRHUSA-N. The full InChI is InChI=1S/C11H18F3NO/c1-3-9(6-7-10(15)16)5-4-8(2)11(12,13)14/h4,9H,3,5-7H2,1-2H3,(H2,15,16)/b8-4+.
What are the key properties of (E)-4-ethyl-8,8,8-trifluoro-7-methyloct-6-enamide?
(E)-4-ethyl-8,8,8-trifluoro-7-methyloct-6-enamide has a molecular weight of 237.26 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-ethyl-8,8,8-trifluoro-7-methyloct-6-enamide is sourced from PubChem (CID 155276473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).