2,2,2-trifluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide

C12H14F3NO2 — CID 62490240

IUPAC2,2,2-trifluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide
SMILESCOc1ccc(C)cc1C(C)NC(=O)C(F)(F)F
InChIInChI=1S/C12H14F3NO2/c1-7-4-5-10(18-3)9(6-7)8(2)16-11(17)12(13,14)15/h4-6,8H,1-3H3,(H,16,17)
InChIKeyPPUINXCLXJMGGJ-UHFFFAOYSA-N
MW261.24 g/mol
LogP2.74
Rot. Bonds3

About 2,2,2-trifluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide

2,2,2-trifluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide (PubChem CID 62490240) has the molecular formula C12H14F3NO2 and a molecular weight of 261.24 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide
PubChem CID62490240
Molecular FormulaC12H14F3NO2
Molecular Weight261.24 g/mol
Exact Mass261.10
IUPAC Name2,2,2-trifluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide
SMILESCOc1ccc(C)cc1C(C)NC(=O)C(F)(F)F
InChIInChI=1S/C12H14F3NO2/c1-7-4-5-10(18-3)9(6-7)8(2)16-11(17)12(13,14)15/h4-6,8H,1-3H3,(H,16,17)
InChIKeyPPUINXCLXJMGGJ-UHFFFAOYSA-N
XLogP2.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-methyl-2-(methylamino)propanamide
CID 55121780
2,2,2-trifluoro-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 81387957
N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-4-(trifluoromethyl)benzamide
CID 9048385
2-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]propanamide
CID 43697668
N-[1-(2-methoxy-5-methylphenyl)ethyl]-3,3-dimethylbutanamide
CID 51212300
2-methoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 47116871
3,5-difluoro-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 9262765
N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-(propan-2-ylamino)acetamide
CID 60842890
N-[1-(2-methoxy-5-methylphenyl)ethyl]-3-methylbut-2-enamide
CID 47010076
2-ethyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]butanamide
CID 78813044
1-[1-(2-methoxy-5-methylphenyl)ethyl]-3-[1-(2-methylphenyl)ethyl]urea
CID 42928249
N-[1-(2-methoxy-5-methylphenyl)ethyl]-3,4-dimethylbenzamide
CID 84966349

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide (CID 62490240) is 2,2,2-trifluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide is COc1ccc(C)cc1C(C)NC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide?
The InChIKey is PPUINXCLXJMGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO2/c1-7-4-5-10(18-3)9(6-7)8(2)16-11(17)12(13,14)15/h4-6,8H,1-3H3,(H,16,17).
What are the key properties of 2,2,2-trifluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide?
2,2,2-trifluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide has a molecular weight of 261.24 g/mol, XLogP of 2.74, 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-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide is sourced from PubChem (CID 62490240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).