2-(2-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide

C11H12F3NO — CID 51072880

IUPAC2-(2-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1ccccc1CC(=O)NCC(F)(F)F
InChIInChI=1S/C11H12F3NO/c1-8-4-2-3-5-9(8)6-10(16)15-7-11(12,13)14/h2-5H,6-7H2,1H3,(H,15,16)
InChIKeyHQRZJPUJMFSZIU-UHFFFAOYSA-N
MW231.22 g/mol
LogP2.22
Rot. Bonds3

About 2-(2-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide

2-(2-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 51072880) has the molecular formula C11H12F3NO and a molecular weight of 231.22 g/mol. Its IUPAC name is 2-(2-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(2-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID51072880
Molecular FormulaC11H12F3NO
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC Name2-(2-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1ccccc1CC(=O)NCC(F)(F)F
InChIInChI=1S/C11H12F3NO/c1-8-4-2-3-5-9(8)6-10(16)15-7-11(12,13)14/h2-5H,6-7H2,1H3,(H,15,16)
InChIKeyHQRZJPUJMFSZIU-UHFFFAOYSA-N
XLogP2.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,2-difluoro-3-hydroxypropyl)-2-(2-methylphenyl)acetamide
CID 104858311
N-(2-hydroxy-2-methylpropyl)-2-(2-methylphenyl)acetamide
CID 65109576
N-[(2-methylphenyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914832
N-(2,3-dihydroxy-2-methylpropyl)-2-(2-methylphenyl)acetamide
CID 66168615
4-[(2-methylphenyl)methylamino]-N-(2,2,2-trifluoroethyl)benzamide
CID 99792432
2-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
CID 18105664
ethyl 2-[[2-(2-methylphenyl)acetyl]amino]acetate
CID 26163301
2-(2-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 25402863
3-hydroxy-3-methyl-4-[[2-(2-methylphenyl)acetyl]amino]butanoic acid
CID 66002915
2-(2-methylphenyl)-N-[2-(2-methylphenyl)acetyl]acetamide
CID 140983476
2-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 37384302
2-(2-methylphenyl)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 30293543

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(2-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide (CID 51072880) is 2-(2-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(2-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(2-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide is Cc1ccccc1CC(=O)NCC(F)(F)F.
What is the InChIKey of 2-(2-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is HQRZJPUJMFSZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO/c1-8-4-2-3-5-9(8)6-10(16)15-7-11(12,13)14/h2-5H,6-7H2,1H3,(H,15,16).
What are the key properties of 2-(2-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(2-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 231.22 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 51072880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).