(E)-N-tert-butyl-3-cyclopropyl-4,4,4-trifluorobut-2-enamide

C11H16F3NO — CID 70848146

IUPAC(E)-N-tert-butyl-3-cyclopropyl-4,4,4-trifluorobut-2-enamide
SMILESCC(C)(C)NC(=O)/C=C(\C1CC1)C(F)(F)F
InChIInChI=1S/C11H16F3NO/c1-10(2,3)15-9(16)6-8(7-4-5-7)11(12,13)14/h6-7H,4-5H2,1-3H3,(H,15,16)/b8-6+
InChIKeyOQUSNEQZGPVQBX-SOFGYWHQSA-N
MW235.25 g/mol
LogP2.80
Rot. Bonds2

About (E)-N-tert-butyl-3-cyclopropyl-4,4,4-trifluorobut-2-enamide

(E)-N-tert-butyl-3-cyclopropyl-4,4,4-trifluorobut-2-enamide (PubChem CID 70848146) has the molecular formula C11H16F3NO and a molecular weight of 235.25 g/mol. Its IUPAC name is (E)-N-tert-butyl-3-cyclopropyl-4,4,4-trifluorobut-2-enamide.

Molecular Properties

Compound Name(E)-N-tert-butyl-3-cyclopropyl-4,4,4-trifluorobut-2-enamide
PubChem CID70848146
Molecular FormulaC11H16F3NO
Molecular Weight235.25 g/mol
Exact Mass235.12
IUPAC Name(E)-N-tert-butyl-3-cyclopropyl-4,4,4-trifluorobut-2-enamide
SMILESCC(C)(C)NC(=O)/C=C(\C1CC1)C(F)(F)F
InChIInChI=1S/C11H16F3NO/c1-10(2,3)15-9(16)6-8(7-4-5-7)11(12,13)14/h6-7H,4-5H2,1-3H3,(H,15,16)/b8-6+
InChIKeyOQUSNEQZGPVQBX-SOFGYWHQSA-N
XLogP2.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-N-(tert-butyl)-3-ethyl-4-fluoropent-2-enamide
CID 177897438
(E)-3-cyclopropyl-4,4,4-trifluoro-N-propan-2-ylbut-2-enamide
CID 70856669
(E)-3-cyclopropyl-N-ethyl-4,4,4-trifluorobut-2-enamide
CID 70856678
(Z)-N-tert-butyl-4-methyl-3-(trifluoromethyl)pent-2-enamide
CID 89027815
(E)-N-tert-butyl-4-methyl-3-(trifluoromethyl)pent-2-enamide
CID 89037517
(E)-3-cyclopropyl-4,4,4-trifluorobut-2-enamide;ethane
CID 144438715
N-(3,6-dimethylhepta-1,5-dien-3-yl)-2,2,2-trifluoroacetamide
CID 101178703
(Z)-N-tert-butyl-3-cyclopropylbut-2-enamide
CID 89027811
(Z)-N-tert-butyl-3,4-dimethylpent-2-enamide
CID 89027840
3-methyl-N-(2-methylbutan-2-yl)hex-2-enamide
CID 123303726
(E)-N-tert-butyl-3-cyclopropylbut-2-enamide
CID 127129921

Frequently Asked Questions

What is the IUPAC name of (E)-N-tert-butyl-3-cyclopropyl-4,4,4-trifluorobut-2-enamide?
The IUPAC name of (E)-N-tert-butyl-3-cyclopropyl-4,4,4-trifluorobut-2-enamide (CID 70848146) is (E)-N-tert-butyl-3-cyclopropyl-4,4,4-trifluorobut-2-enamide.
What is the SMILES notation for (E)-N-tert-butyl-3-cyclopropyl-4,4,4-trifluorobut-2-enamide?
The canonical SMILES for (E)-N-tert-butyl-3-cyclopropyl-4,4,4-trifluorobut-2-enamide is CC(C)(C)NC(=O)/C=C(\C1CC1)C(F)(F)F.
What is the InChIKey of (E)-N-tert-butyl-3-cyclopropyl-4,4,4-trifluorobut-2-enamide?
The InChIKey is OQUSNEQZGPVQBX-SOFGYWHQSA-N. The full InChI is InChI=1S/C11H16F3NO/c1-10(2,3)15-9(16)6-8(7-4-5-7)11(12,13)14/h6-7H,4-5H2,1-3H3,(H,15,16)/b8-6+.
What are the key properties of (E)-N-tert-butyl-3-cyclopropyl-4,4,4-trifluorobut-2-enamide?
(E)-N-tert-butyl-3-cyclopropyl-4,4,4-trifluorobut-2-enamide has a molecular weight of 235.25 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-tert-butyl-3-cyclopropyl-4,4,4-trifluorobut-2-enamide is sourced from PubChem (CID 70848146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).