2,2,2-trifluoro-N-[(4-methoxyphenyl)methyl]acetamide

C10H10F3NO2 — CID 885647

IUPAC2,2,2-trifluoro-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)C(F)(F)F)cc1
InChIInChI=1S/C10H10F3NO2/c1-16-8-4-2-7(3-5-8)6-14-9(15)10(11,12)13/h2-5H,6H2,1H3,(H,14,15)
InChIKeyQNFQVUUDXQXNQR-UHFFFAOYSA-N
MW233.19 g/mol
LogP1.87
Rot. Bonds3

About 2,2,2-trifluoro-N-[(4-methoxyphenyl)methyl]acetamide

2,2,2-trifluoro-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 885647) has the molecular formula C10H10F3NO2 and a molecular weight of 233.19 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID885647
Molecular FormulaC10H10F3NO2
Molecular Weight233.19 g/mol
Exact Mass233.07
IUPAC Name2,2,2-trifluoro-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)C(F)(F)F)cc1
InChIInChI=1S/C10H10F3NO2/c1-16-8-4-2-7(3-5-8)6-14-9(15)10(11,12)13/h2-5H,6H2,1H3,(H,14,15)
InChIKeyQNFQVUUDXQXNQR-UHFFFAOYSA-N
XLogP1.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(4-methoxyphenyl)methyl]acetamide (CID 885647) is 2,2,2-trifluoro-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(4-methoxyphenyl)methyl]acetamide is COc1ccc(CNC(=O)C(F)(F)F)cc1.
What is the InChIKey of 2,2,2-trifluoro-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is QNFQVUUDXQXNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO2/c1-16-8-4-2-7(3-5-8)6-14-9(15)10(11,12)13/h2-5H,6H2,1H3,(H,14,15).
What are the key properties of 2,2,2-trifluoro-N-[(4-methoxyphenyl)methyl]acetamide?
2,2,2-trifluoro-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 233.19 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 885647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).