2-(3,4,5-trichlorophenyl)-N-(2,2,2-trifluoroethyl)acetamide

C10H7Cl3F3NO — CID 88920445

IUPAC2-(3,4,5-trichlorophenyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(Cc1cc(Cl)c(Cl)c(Cl)c1)NCC(F)(F)F
InChIInChI=1S/C10H7Cl3F3NO/c11-6-1-5(2-7(12)9(6)13)3-8(18)17-4-10(14,15)16/h1-2H,3-4H2,(H,17,18)
InChIKeyXNAJFTPSEPDQMW-UHFFFAOYSA-N
MW320.53 g/mol
LogP3.87
Rot. Bonds3

About 2-(3,4,5-trichlorophenyl)-N-(2,2,2-trifluoroethyl)acetamide

2-(3,4,5-trichlorophenyl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 88920445) has the molecular formula C10H7Cl3F3NO and a molecular weight of 320.53 g/mol. Its IUPAC name is 2-(3,4,5-trichlorophenyl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(3,4,5-trichlorophenyl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID88920445
Molecular FormulaC10H7Cl3F3NO
Molecular Weight320.53 g/mol
Exact Mass318.95
IUPAC Name2-(3,4,5-trichlorophenyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(Cc1cc(Cl)c(Cl)c(Cl)c1)NCC(F)(F)F
InChIInChI=1S/C10H7Cl3F3NO/c11-6-1-5(2-7(12)9(6)13)3-8(18)17-4-10(14,15)16/h1-2H,3-4H2,(H,17,18)
InChIKeyXNAJFTPSEPDQMW-UHFFFAOYSA-N
XLogP3.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.53
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4,5-trichlorophenyl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(3,4,5-trichlorophenyl)-N-(2,2,2-trifluoroethyl)acetamide (CID 88920445) is 2-(3,4,5-trichlorophenyl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(3,4,5-trichlorophenyl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(3,4,5-trichlorophenyl)-N-(2,2,2-trifluoroethyl)acetamide is O=C(Cc1cc(Cl)c(Cl)c(Cl)c1)NCC(F)(F)F.
What is the InChIKey of 2-(3,4,5-trichlorophenyl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is XNAJFTPSEPDQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl3F3NO/c11-6-1-5(2-7(12)9(6)13)3-8(18)17-4-10(14,15)16/h1-2H,3-4H2,(H,17,18).
What are the key properties of 2-(3,4,5-trichlorophenyl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(3,4,5-trichlorophenyl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 320.53 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4,5-trichlorophenyl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 88920445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).