2,2,2-trifluoro-N-[2-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]phenyl]acetamide

C18H11F6NO2 — CID 141410051

About 2,2,2-trifluoro-N-[2-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]phenyl]acetamide

2,2,2-trifluoro-N-[2-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]phenyl]acetamide (PubChem CID 141410051) has the molecular formula C18H11F6NO2 and a molecular weight of 387.28 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]phenyl]acetamide.

Molecular Properties

• Compound Name: 2,2,2-trifluoro-N-[2-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]phenyl]acetamide
• PubChem CID: 141410051
• Molecular Formula: C18H11F6NO2
• Molecular Weight: 387.28 g/mol
• Exact Mass: 387.07
• IUPAC Name: 2,2,2-trifluoro-N-[2-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]phenyl]acetamide
• SMILES: O=C(/C=C/c1ccc(C(F)(F)F)cc1)c1ccccc1NC(=O)C(F)(F)F
• InChI: InChI=1S/C18H11F6NO2/c19-17(20,21)12-8-5-11(6-9-12)7-10-15(26)13-3-1-2-4-14(13)25-16(27)18(22,23)24/h1-10H,(H,25,27)/b10-7+
• InChIKey: WPZGHMIFKIFVEG-JXMROGBWSA-N
• XLogP: 5.10
• TPSA: 46.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	387.28
LogP ≤ 5	5.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]phenyl]acetamide?

The IUPAC name of 2,2,2-trifluoro-N-[2-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]phenyl]acetamide (CID 141410051) is 2,2,2-trifluoro-N-[2-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]phenyl]acetamide.

What is the SMILES notation for 2,2,2-trifluoro-N-[2-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]phenyl]acetamide?

The canonical SMILES for 2,2,2-trifluoro-N-[2-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]phenyl]acetamide is O=C(/C=C/c1ccc(C(F)(F)F)cc1)c1ccccc1NC(=O)C(F)(F)F.

What is the InChIKey of 2,2,2-trifluoro-N-[2-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]phenyl]acetamide?

The InChIKey is WPZGHMIFKIFVEG-JXMROGBWSA-N. The full InChI is InChI=1S/C18H11F6NO2/c19-17(20,21)12-8-5-11(6-9-12)7-10-15(26)13-3-1-2-4-14(13)25-16(27)18(22,23)24/h1-10H,(H,25,27)/b10-7+.

What are the key properties of 2,2,2-trifluoro-N-[2-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]phenyl]acetamide?

2,2,2-trifluoro-N-[2-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]phenyl]acetamide has a molecular weight of 387.28 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2,2-trifluoro-N-[2-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]phenyl]acetamide is sourced from PubChem (CID 141410051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).