N-[(4-ethenylphenyl)methyl]-2,2,2-trifluoroacetamide

C11H10F3NO — CID 18970210

IUPACN-[(4-ethenylphenyl)methyl]-2,2,2-trifluoroacetamide
SMILESC=Cc1ccc(CNC(=O)C(F)(F)F)cc1
InChIInChI=1S/C11H10F3NO/c1-2-8-3-5-9(6-4-8)7-15-10(16)11(12,13)14/h2-6H,1,7H2,(H,15,16)
InChIKeyYWOSYQHOTONGPR-UHFFFAOYSA-N
MW229.20 g/mol
LogP2.51
Rot. Bonds3

About N-[(4-ethenylphenyl)methyl]-2,2,2-trifluoroacetamide

N-[(4-ethenylphenyl)methyl]-2,2,2-trifluoroacetamide (PubChem CID 18970210) has the molecular formula C11H10F3NO and a molecular weight of 229.20 g/mol. Its IUPAC name is N-[(4-ethenylphenyl)methyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[(4-ethenylphenyl)methyl]-2,2,2-trifluoroacetamide
PubChem CID18970210
Molecular FormulaC11H10F3NO
Molecular Weight229.20 g/mol
Exact Mass229.07
IUPAC NameN-[(4-ethenylphenyl)methyl]-2,2,2-trifluoroacetamide
SMILESC=Cc1ccc(CNC(=O)C(F)(F)F)cc1
InChIInChI=1S/C11H10F3NO/c1-2-8-3-5-9(6-4-8)7-15-10(16)11(12,13)14/h2-6H,1,7H2,(H,15,16)
InChIKeyYWOSYQHOTONGPR-UHFFFAOYSA-N
XLogP2.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethenylphenyl)methyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[(4-ethenylphenyl)methyl]-2,2,2-trifluoroacetamide (CID 18970210) is N-[(4-ethenylphenyl)methyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[(4-ethenylphenyl)methyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[(4-ethenylphenyl)methyl]-2,2,2-trifluoroacetamide is C=Cc1ccc(CNC(=O)C(F)(F)F)cc1.
What is the InChIKey of N-[(4-ethenylphenyl)methyl]-2,2,2-trifluoroacetamide?
The InChIKey is YWOSYQHOTONGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO/c1-2-8-3-5-9(6-4-8)7-15-10(16)11(12,13)14/h2-6H,1,7H2,(H,15,16).
What are the key properties of N-[(4-ethenylphenyl)methyl]-2,2,2-trifluoroacetamide?
N-[(4-ethenylphenyl)methyl]-2,2,2-trifluoroacetamide has a molecular weight of 229.20 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethenylphenyl)methyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 18970210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).