2,2,2-trifluoro-N,N-bis(4-methylphenyl)acetamide

C16H14F3NO — CID 91741298

IUPAC2,2,2-trifluoro-N,N-bis(4-methylphenyl)acetamide
SMILESCc1ccc(N(C(=O)C(F)(F)F)c2ccc(C)cc2)cc1
InChIInChI=1S/C16H14F3NO/c1-11-3-7-13(8-4-11)20(15(21)16(17,18)19)14-9-5-12(2)6-10-14/h3-10H,1-2H3
InChIKeyGRNFXFKRPRSPNF-UHFFFAOYSA-N
MW293.29 g/mol
LogP4.53
Rot. Bonds2

About 2,2,2-trifluoro-N,N-bis(4-methylphenyl)acetamide

2,2,2-trifluoro-N,N-bis(4-methylphenyl)acetamide (PubChem CID 91741298) has the molecular formula C16H14F3NO and a molecular weight of 293.29 g/mol. Its IUPAC name is 2,2,2-trifluoro-N,N-bis(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N,N-bis(4-methylphenyl)acetamide
PubChem CID91741298
Molecular FormulaC16H14F3NO
Molecular Weight293.29 g/mol
Exact Mass293.10
IUPAC Name2,2,2-trifluoro-N,N-bis(4-methylphenyl)acetamide
SMILESCc1ccc(N(C(=O)C(F)(F)F)c2ccc(C)cc2)cc1
InChIInChI=1S/C16H14F3NO/c1-11-3-7-13(8-4-11)20(15(21)16(17,18)19)14-9-5-12(2)6-10-14/h3-10H,1-2H3
InChIKeyGRNFXFKRPRSPNF-UHFFFAOYSA-N
XLogP4.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N,N-bis(4-methylphenyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N,N-bis(4-methylphenyl)acetamide (CID 91741298) is 2,2,2-trifluoro-N,N-bis(4-methylphenyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N,N-bis(4-methylphenyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N,N-bis(4-methylphenyl)acetamide is Cc1ccc(N(C(=O)C(F)(F)F)c2ccc(C)cc2)cc1.
What is the InChIKey of 2,2,2-trifluoro-N,N-bis(4-methylphenyl)acetamide?
The InChIKey is GRNFXFKRPRSPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO/c1-11-3-7-13(8-4-11)20(15(21)16(17,18)19)14-9-5-12(2)6-10-14/h3-10H,1-2H3.
What are the key properties of 2,2,2-trifluoro-N,N-bis(4-methylphenyl)acetamide?
2,2,2-trifluoro-N,N-bis(4-methylphenyl)acetamide has a molecular weight of 293.29 g/mol, XLogP of 4.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N,N-bis(4-methylphenyl)acetamide is sourced from PubChem (CID 91741298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).