(E)-4-methyl-N-propan-2-yl-3-(trifluoromethyl)pent-2-enamide

C10H16F3NO — CID 88970850

IUPAC(E)-4-methyl-N-propan-2-yl-3-(trifluoromethyl)pent-2-enamide
SMILESCC(C)NC(=O)/C=C(\C(C)C)C(F)(F)F
InChIInChI=1S/C10H16F3NO/c1-6(2)8(10(11,12)13)5-9(15)14-7(3)4/h5-7H,1-4H3,(H,14,15)/b8-5+
InChIKeyYXOHYAHSHYKKPZ-VMPITWQZSA-N
MW223.24 g/mol
LogP2.66
Rot. Bonds3

About (E)-4-methyl-N-propan-2-yl-3-(trifluoromethyl)pent-2-enamide

(E)-4-methyl-N-propan-2-yl-3-(trifluoromethyl)pent-2-enamide (PubChem CID 88970850) has the molecular formula C10H16F3NO and a molecular weight of 223.24 g/mol. Its IUPAC name is (E)-4-methyl-N-propan-2-yl-3-(trifluoromethyl)pent-2-enamide.

Molecular Properties

Compound Name(E)-4-methyl-N-propan-2-yl-3-(trifluoromethyl)pent-2-enamide
PubChem CID88970850
Molecular FormulaC10H16F3NO
Molecular Weight223.24 g/mol
Exact Mass223.12
IUPAC Name(E)-4-methyl-N-propan-2-yl-3-(trifluoromethyl)pent-2-enamide
SMILESCC(C)NC(=O)/C=C(\C(C)C)C(F)(F)F
InChIInChI=1S/C10H16F3NO/c1-6(2)8(10(11,12)13)5-9(15)14-7(3)4/h5-7H,1-4H3,(H,14,15)/b8-5+
InChIKeyYXOHYAHSHYKKPZ-VMPITWQZSA-N
XLogP2.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 52.66
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 (E)-4-methyl-N-propan-2-yl-3-(trifluoromethyl)pent-2-enamide?
The IUPAC name of (E)-4-methyl-N-propan-2-yl-3-(trifluoromethyl)pent-2-enamide (CID 88970850) is (E)-4-methyl-N-propan-2-yl-3-(trifluoromethyl)pent-2-enamide.
What is the SMILES notation for (E)-4-methyl-N-propan-2-yl-3-(trifluoromethyl)pent-2-enamide?
The canonical SMILES for (E)-4-methyl-N-propan-2-yl-3-(trifluoromethyl)pent-2-enamide is CC(C)NC(=O)/C=C(\C(C)C)C(F)(F)F.
What is the InChIKey of (E)-4-methyl-N-propan-2-yl-3-(trifluoromethyl)pent-2-enamide?
The InChIKey is YXOHYAHSHYKKPZ-VMPITWQZSA-N. The full InChI is InChI=1S/C10H16F3NO/c1-6(2)8(10(11,12)13)5-9(15)14-7(3)4/h5-7H,1-4H3,(H,14,15)/b8-5+.
What are the key properties of (E)-4-methyl-N-propan-2-yl-3-(trifluoromethyl)pent-2-enamide?
(E)-4-methyl-N-propan-2-yl-3-(trifluoromethyl)pent-2-enamide has a molecular weight of 223.24 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-methyl-N-propan-2-yl-3-(trifluoromethyl)pent-2-enamide is sourced from PubChem (CID 88970850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).