2,2,2-trifluoro-N-[1-(3-methoxy-5-methylphenyl)ethyl]acetamide

C12H14F3NO2 — CID 118337236

IUPAC2,2,2-trifluoro-N-[1-(3-methoxy-5-methylphenyl)ethyl]acetamide
SMILESCOc1cc(C)cc(C(C)NC(=O)C(F)(F)F)c1
InChIInChI=1S/C12H14F3NO2/c1-7-4-9(6-10(5-7)18-3)8(2)16-11(17)12(13,14)15/h4-6,8H,1-3H3,(H,16,17)
InChIKeyNNBNEYWMQARPCM-UHFFFAOYSA-N
MW261.24 g/mol
LogP2.74
Rot. Bonds3

About 2,2,2-trifluoro-N-[1-(3-methoxy-5-methylphenyl)ethyl]acetamide

2,2,2-trifluoro-N-[1-(3-methoxy-5-methylphenyl)ethyl]acetamide (PubChem CID 118337236) has the molecular formula C12H14F3NO2 and a molecular weight of 261.24 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[1-(3-methoxy-5-methylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[1-(3-methoxy-5-methylphenyl)ethyl]acetamide
PubChem CID118337236
Molecular FormulaC12H14F3NO2
Molecular Weight261.24 g/mol
Exact Mass261.10
IUPAC Name2,2,2-trifluoro-N-[1-(3-methoxy-5-methylphenyl)ethyl]acetamide
SMILESCOc1cc(C)cc(C(C)NC(=O)C(F)(F)F)c1
InChIInChI=1S/C12H14F3NO2/c1-7-4-9(6-10(5-7)18-3)8(2)16-11(17)12(13,14)15/h4-6,8H,1-3H3,(H,16,17)
InChIKeyNNBNEYWMQARPCM-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

2,2,2-trifluoro-N-[1-(3-propan-2-yloxyphenyl)ethyl]acetamide
CID 62729345
2,2,2-trifluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 62490240
methyl (2R,3S)-3-(3,5-dimethoxyphenyl)-3-hydroxy-2-[(2,2,2-trifluoroacetyl)amino]propanoate
CID 177484692
2,2,2-trifluoro-N-[(1S)-1-(4-formyl-3-methoxyphenyl)ethyl]acetamide
CID 118337551
2,2,2-trifluoro-N-[1-(4-iodophenyl)ethyl]acetamide
CID 21035206
N-[1-(3,4-dichlorophenyl)ethyl]-2,2,2-trifluoroacetamide
CID 62490766
N-[1-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanamide
CID 17330111
(1R,2S)-1-amino-1-(3-methoxy-5-methylphenyl)propan-2-ol
CID 130641890
2,2,2-trifluoro-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 62733543
3-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2,2,3-trimethylbutanamide
CID 81363369
3,5-dimethoxy-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide
CID 94012593
2,2,2-trifluoro-N-[1-(3-prop-2-ynoxyphenyl)ethyl]acetamide
CID 144905166

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[1-(3-methoxy-5-methylphenyl)ethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[1-(3-methoxy-5-methylphenyl)ethyl]acetamide (CID 118337236) is 2,2,2-trifluoro-N-[1-(3-methoxy-5-methylphenyl)ethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[1-(3-methoxy-5-methylphenyl)ethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[1-(3-methoxy-5-methylphenyl)ethyl]acetamide is COc1cc(C)cc(C(C)NC(=O)C(F)(F)F)c1.
What is the InChIKey of 2,2,2-trifluoro-N-[1-(3-methoxy-5-methylphenyl)ethyl]acetamide?
The InChIKey is NNBNEYWMQARPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO2/c1-7-4-9(6-10(5-7)18-3)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-(3-methoxy-5-methylphenyl)ethyl]acetamide?
2,2,2-trifluoro-N-[1-(3-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-(3-methoxy-5-methylphenyl)ethyl]acetamide is sourced from PubChem (CID 118337236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).