(E)-N-tert-butyl-2-(trifluoromethyl)hex-4-enamide

C11H18F3NO — CID 11241866

IUPAC(E)-N-tert-butyl-2-(trifluoromethyl)hex-4-enamide
SMILESC/C=C/CC(C(=O)NC(C)(C)C)C(F)(F)F
InChIInChI=1S/C11H18F3NO/c1-5-6-7-8(11(12,13)14)9(16)15-10(2,3)4/h5-6,8H,7H2,1-4H3,(H,15,16)/b6-5+
InChIKeyNGURKGSUSWTHBT-AATRIKPKSA-N
MW237.26 g/mol
LogP3.05
Rot. Bonds3

About (E)-N-tert-butyl-2-(trifluoromethyl)hex-4-enamide

(E)-N-tert-butyl-2-(trifluoromethyl)hex-4-enamide (PubChem CID 11241866) has the molecular formula C11H18F3NO and a molecular weight of 237.26 g/mol. Its IUPAC name is (E)-N-tert-butyl-2-(trifluoromethyl)hex-4-enamide.

Molecular Properties

Compound Name(E)-N-tert-butyl-2-(trifluoromethyl)hex-4-enamide
PubChem CID11241866
Molecular FormulaC11H18F3NO
Molecular Weight237.26 g/mol
Exact Mass237.13
IUPAC Name(E)-N-tert-butyl-2-(trifluoromethyl)hex-4-enamide
SMILESC/C=C/CC(C(=O)NC(C)(C)C)C(F)(F)F
InChIInChI=1S/C11H18F3NO/c1-5-6-7-8(11(12,13)14)9(16)15-10(2,3)4/h5-6,8H,7H2,1-4H3,(H,15,16)/b6-5+
InChIKeyNGURKGSUSWTHBT-AATRIKPKSA-N
XLogP3.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 53.05
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)-N-tert-butyl-2-(trifluoromethyl)hex-4-enamide?
The IUPAC name of (E)-N-tert-butyl-2-(trifluoromethyl)hex-4-enamide (CID 11241866) is (E)-N-tert-butyl-2-(trifluoromethyl)hex-4-enamide.
What is the SMILES notation for (E)-N-tert-butyl-2-(trifluoromethyl)hex-4-enamide?
The canonical SMILES for (E)-N-tert-butyl-2-(trifluoromethyl)hex-4-enamide is C/C=C/CC(C(=O)NC(C)(C)C)C(F)(F)F.
What is the InChIKey of (E)-N-tert-butyl-2-(trifluoromethyl)hex-4-enamide?
The InChIKey is NGURKGSUSWTHBT-AATRIKPKSA-N. The full InChI is InChI=1S/C11H18F3NO/c1-5-6-7-8(11(12,13)14)9(16)15-10(2,3)4/h5-6,8H,7H2,1-4H3,(H,15,16)/b6-5+.
What are the key properties of (E)-N-tert-butyl-2-(trifluoromethyl)hex-4-enamide?
(E)-N-tert-butyl-2-(trifluoromethyl)hex-4-enamide has a molecular weight of 237.26 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-tert-butyl-2-(trifluoromethyl)hex-4-enamide is sourced from PubChem (CID 11241866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).