(Z)-N-tert-butyl-4-methyl-3-(trifluoromethyl)pent-2-enamide

C11H18F3NO — CID 89027815

IUPAC(Z)-N-tert-butyl-4-methyl-3-(trifluoromethyl)pent-2-enamide
SMILESCC(C)/C(=C/C(=O)NC(C)(C)C)C(F)(F)F
InChIInChI=1S/C11H18F3NO/c1-7(2)8(11(12,13)14)6-9(16)15-10(3,4)5/h6-7H,1-5H3,(H,15,16)/b8-6-
InChIKeyBJCLULVNELKLOS-VURMDHGXSA-N
MW237.26 g/mol
LogP3.05
Rot. Bonds2

About (Z)-N-tert-butyl-4-methyl-3-(trifluoromethyl)pent-2-enamide

(Z)-N-tert-butyl-4-methyl-3-(trifluoromethyl)pent-2-enamide (PubChem CID 89027815) has the molecular formula C11H18F3NO and a molecular weight of 237.26 g/mol. Its IUPAC name is (Z)-N-tert-butyl-4-methyl-3-(trifluoromethyl)pent-2-enamide.

Molecular Properties

Compound Name(Z)-N-tert-butyl-4-methyl-3-(trifluoromethyl)pent-2-enamide
PubChem CID89027815
Molecular FormulaC11H18F3NO
Molecular Weight237.26 g/mol
Exact Mass237.13
IUPAC Name(Z)-N-tert-butyl-4-methyl-3-(trifluoromethyl)pent-2-enamide
SMILESCC(C)/C(=C/C(=O)NC(C)(C)C)C(F)(F)F
InChIInChI=1S/C11H18F3NO/c1-7(2)8(11(12,13)14)6-9(16)15-10(3,4)5/h6-7H,1-5H3,(H,15,16)/b8-6-
InChIKeyBJCLULVNELKLOS-VURMDHGXSA-N
XLogP3.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-tert-butyl-4-methyl-3-(trifluoromethyl)pent-2-enamide?
The IUPAC name of (Z)-N-tert-butyl-4-methyl-3-(trifluoromethyl)pent-2-enamide (CID 89027815) is (Z)-N-tert-butyl-4-methyl-3-(trifluoromethyl)pent-2-enamide.
What is the SMILES notation for (Z)-N-tert-butyl-4-methyl-3-(trifluoromethyl)pent-2-enamide?
The canonical SMILES for (Z)-N-tert-butyl-4-methyl-3-(trifluoromethyl)pent-2-enamide is CC(C)/C(=C/C(=O)NC(C)(C)C)C(F)(F)F.
What is the InChIKey of (Z)-N-tert-butyl-4-methyl-3-(trifluoromethyl)pent-2-enamide?
The InChIKey is BJCLULVNELKLOS-VURMDHGXSA-N. The full InChI is InChI=1S/C11H18F3NO/c1-7(2)8(11(12,13)14)6-9(16)15-10(3,4)5/h6-7H,1-5H3,(H,15,16)/b8-6-.
What are the key properties of (Z)-N-tert-butyl-4-methyl-3-(trifluoromethyl)pent-2-enamide?
(Z)-N-tert-butyl-4-methyl-3-(trifluoromethyl)pent-2-enamide has a molecular weight of 237.26 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-tert-butyl-4-methyl-3-(trifluoromethyl)pent-2-enamide is sourced from PubChem (CID 89027815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).