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

C10H10F3NO — CID 3472115

IUPAC2,2,2-trifluoro-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)C(F)(F)F)cc1
InChIInChI=1S/C10H10F3NO/c1-7-2-4-8(5-3-7)6-14-9(15)10(11,12)13/h2-5H,6H2,1H3,(H,14,15)
InChIKeyKGNPSTIXBIQSQW-UHFFFAOYSA-N
MW217.19 g/mol
LogP2.17
Rot. Bonds2

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

2,2,2-trifluoro-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 3472115) has the molecular formula C10H10F3NO and a molecular weight of 217.19 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(4-methylphenyl)methyl]acetamide
PubChem CID3472115
Molecular FormulaC10H10F3NO
Molecular Weight217.19 g/mol
Exact Mass217.07
IUPAC Name2,2,2-trifluoro-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)C(F)(F)F)cc1
InChIInChI=1S/C10H10F3NO/c1-7-2-4-8(5-3-7)6-14-9(15)10(11,12)13/h2-5H,6H2,1H3,(H,14,15)
InChIKeyKGNPSTIXBIQSQW-UHFFFAOYSA-N
XLogP2.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(4-methylphenyl)methyl]acetamide (CID 3472115) is 2,2,2-trifluoro-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CNC(=O)C(F)(F)F)cc1.
What is the InChIKey of 2,2,2-trifluoro-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is KGNPSTIXBIQSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO/c1-7-2-4-8(5-3-7)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-methylphenyl)methyl]acetamide?
2,2,2-trifluoro-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 217.19 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 3472115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).