2-(3,5-dimethylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide

C12H14F3NO2 — CID 60624693

IUPAC2-(3,5-dimethylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1cc(C)cc(OCC(=O)NCC(F)(F)F)c1
InChIInChI=1S/C12H14F3NO2/c1-8-3-9(2)5-10(4-8)18-6-11(17)16-7-12(13,14)15/h3-5H,6-7H2,1-2H3,(H,16,17)
InChIKeyCYJKLMTUQQHXGP-UHFFFAOYSA-N
MW261.24 g/mol
LogP2.36
Rot. Bonds4

About 2-(3,5-dimethylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide

2-(3,5-dimethylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 60624693) has the molecular formula C12H14F3NO2 and a molecular weight of 261.24 g/mol. Its IUPAC name is 2-(3,5-dimethylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID60624693
Molecular FormulaC12H14F3NO2
Molecular Weight261.24 g/mol
Exact Mass261.10
IUPAC Name2-(3,5-dimethylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1cc(C)cc(OCC(=O)NCC(F)(F)F)c1
InChIInChI=1S/C12H14F3NO2/c1-8-3-9(2)5-10(4-8)18-6-11(17)16-7-12(13,14)15/h3-5H,6-7H2,1-2H3,(H,16,17)
InChIKeyCYJKLMTUQQHXGP-UHFFFAOYSA-N
XLogP2.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,5-dimethylphenoxy)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide
CID 60545145
2-(3,5-dimethylphenoxy)-N-(2,2,2-trifluoroethoxy)acetamide
CID 81340723
4-[[2-(3,5-dimethylphenoxy)acetyl]amino]-3-hydroxy-3-methylbutanoic acid
CID 66002345
2-(3-methyl-4-nitrophenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 31880526
N-(3,3-difluoro-2-hydroxypropyl)-2-(3,5-dimethylphenoxy)acetamide
CID 103770426
2-(3,5-dimethylphenoxy)-N-(2-hydroxypropyl)acetamide
CID 43391085
2-(4-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 39951739
2-(5-amino-2-methylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 54961587
2-(3,5-dimethylphenoxy)-N-(3-methylbutyl)acetamide
CID 60624673
3-[2-oxo-2-(2,2,2-trifluoroethylamino)ethoxy]benzoic acid
CID 43214258
N-(2-tert-butylsulfanylethyl)-2-(3,5-dimethylphenoxy)acetamide
CID 21367691
2-(2-acetyl-5-methylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 60701199

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(3,5-dimethylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide (CID 60624693) is 2-(3,5-dimethylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(3,5-dimethylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(3,5-dimethylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide is Cc1cc(C)cc(OCC(=O)NCC(F)(F)F)c1.
What is the InChIKey of 2-(3,5-dimethylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is CYJKLMTUQQHXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO2/c1-8-3-9(2)5-10(4-8)18-6-11(17)16-7-12(13,14)15/h3-5H,6-7H2,1-2H3,(H,16,17).
What are the key properties of 2-(3,5-dimethylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide?
2-(3,5-dimethylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 261.24 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 60624693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).