N-benzhydryl-2,2,2-trifluoroacetamide

C15H12F3NO — CID 870972

IUPACN-benzhydryl-2,2,2-trifluoroacetamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)C(F)(F)F
InChIInChI=1S/C15H12F3NO/c16-15(17,18)14(20)19-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,(H,19,20)
InChIKeyBEMFNAPUMIQIBX-UHFFFAOYSA-N
MW279.26 g/mol
LogP3.45
Rot. Bonds3

About N-benzhydryl-2,2,2-trifluoroacetamide

N-benzhydryl-2,2,2-trifluoroacetamide (PubChem CID 870972) has the molecular formula C15H12F3NO and a molecular weight of 279.26 g/mol. Its IUPAC name is N-benzhydryl-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-benzhydryl-2,2,2-trifluoroacetamide
PubChem CID870972
Molecular FormulaC15H12F3NO
Molecular Weight279.26 g/mol
Exact Mass279.09
IUPAC NameN-benzhydryl-2,2,2-trifluoroacetamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)C(F)(F)F
InChIInChI=1S/C15H12F3NO/c16-15(17,18)14(20)19-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,(H,19,20)
InChIKeyBEMFNAPUMIQIBX-UHFFFAOYSA-N
XLogP3.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2,2,2-trifluoroacetamide?
The IUPAC name of N-benzhydryl-2,2,2-trifluoroacetamide (CID 870972) is N-benzhydryl-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-benzhydryl-2,2,2-trifluoroacetamide?
The canonical SMILES for N-benzhydryl-2,2,2-trifluoroacetamide is O=C(NC(c1ccccc1)c1ccccc1)C(F)(F)F.
What is the InChIKey of N-benzhydryl-2,2,2-trifluoroacetamide?
The InChIKey is BEMFNAPUMIQIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO/c16-15(17,18)14(20)19-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,(H,19,20).
What are the key properties of N-benzhydryl-2,2,2-trifluoroacetamide?
N-benzhydryl-2,2,2-trifluoroacetamide has a molecular weight of 279.26 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2,2,2-trifluoroacetamide is sourced from PubChem (CID 870972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).