2-[3,4-dichloro-5-(trifluoromethyl)phenyl]-N-(2,2,2-trifluoroethyl)acetamide

C11H7Cl2F6NO — CID 88920419

IUPAC2-[3,4-dichloro-5-(trifluoromethyl)phenyl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(Cc1cc(Cl)c(Cl)c(C(F)(F)F)c1)NCC(F)(F)F
InChIInChI=1S/C11H7Cl2F6NO/c12-7-2-5(1-6(9(7)13)11(17,18)19)3-8(21)20-4-10(14,15)16/h1-2H,3-4H2,(H,20,21)
InChIKeyFJBRUVBPWSJDHT-UHFFFAOYSA-N
MW354.08 g/mol
LogP4.23
Rot. Bonds3

About 2-[3,4-dichloro-5-(trifluoromethyl)phenyl]-N-(2,2,2-trifluoroethyl)acetamide

2-[3,4-dichloro-5-(trifluoromethyl)phenyl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 88920419) has the molecular formula C11H7Cl2F6NO and a molecular weight of 354.08 g/mol. Its IUPAC name is 2-[3,4-dichloro-5-(trifluoromethyl)phenyl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[3,4-dichloro-5-(trifluoromethyl)phenyl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID88920419
Molecular FormulaC11H7Cl2F6NO
Molecular Weight354.08 g/mol
Exact Mass352.98
IUPAC Name2-[3,4-dichloro-5-(trifluoromethyl)phenyl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(Cc1cc(Cl)c(Cl)c(C(F)(F)F)c1)NCC(F)(F)F
InChIInChI=1S/C11H7Cl2F6NO/c12-7-2-5(1-6(9(7)13)11(17,18)19)3-8(21)20-4-10(14,15)16/h1-2H,3-4H2,(H,20,21)
InChIKeyFJBRUVBPWSJDHT-UHFFFAOYSA-N
XLogP4.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.08
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[3,4-dichloro-5-(trifluoromethyl)phenyl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[3,4-dichloro-5-(trifluoromethyl)phenyl]-N-(2,2,2-trifluoroethyl)acetamide (CID 88920419) is 2-[3,4-dichloro-5-(trifluoromethyl)phenyl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[3,4-dichloro-5-(trifluoromethyl)phenyl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[3,4-dichloro-5-(trifluoromethyl)phenyl]-N-(2,2,2-trifluoroethyl)acetamide is O=C(Cc1cc(Cl)c(Cl)c(C(F)(F)F)c1)NCC(F)(F)F.
What is the InChIKey of 2-[3,4-dichloro-5-(trifluoromethyl)phenyl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is FJBRUVBPWSJDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2F6NO/c12-7-2-5(1-6(9(7)13)11(17,18)19)3-8(21)20-4-10(14,15)16/h1-2H,3-4H2,(H,20,21).
What are the key properties of 2-[3,4-dichloro-5-(trifluoromethyl)phenyl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[3,4-dichloro-5-(trifluoromethyl)phenyl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 354.08 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,4-dichloro-5-(trifluoromethyl)phenyl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 88920419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).