2,2,2-trifluoro-N-(3-methoxyphenyl)-N-methylacetamide

C10H10F3NO2 — CID 64593233

IUPAC2,2,2-trifluoro-N-(3-methoxyphenyl)-N-methylacetamide
SMILESCOc1cccc(N(C)C(=O)C(F)(F)F)c1
InChIInChI=1S/C10H10F3NO2/c1-14(9(15)10(11,12)13)7-4-3-5-8(6-7)16-2/h3-6H,1-2H3
InChIKeyRIONBPWSKXGHPB-UHFFFAOYSA-N
MW233.19 g/mol
LogP2.22
Rot. Bonds2

About 2,2,2-trifluoro-N-(3-methoxyphenyl)-N-methylacetamide

2,2,2-trifluoro-N-(3-methoxyphenyl)-N-methylacetamide (PubChem CID 64593233) has the molecular formula C10H10F3NO2 and a molecular weight of 233.19 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(3-methoxyphenyl)-N-methylacetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(3-methoxyphenyl)-N-methylacetamide
PubChem CID64593233
Molecular FormulaC10H10F3NO2
Molecular Weight233.19 g/mol
Exact Mass233.07
IUPAC Name2,2,2-trifluoro-N-(3-methoxyphenyl)-N-methylacetamide
SMILESCOc1cccc(N(C)C(=O)C(F)(F)F)c1
InChIInChI=1S/C10H10F3NO2/c1-14(9(15)10(11,12)13)7-4-3-5-8(6-7)16-2/h3-6H,1-2H3
InChIKeyRIONBPWSKXGHPB-UHFFFAOYSA-N
XLogP2.22
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-(3-methoxyphenyl)-N,2,2,3-tetramethylbutanamide
CID 65267204
3-(3-methoxy-N-methylanilino)-2,2-dimethyl-3-oxopropanoic acid
CID 82821580
2,2,2-trifluoro-N-methyl-N-(3-prop-2-enoxyphenyl)acetamide
CID 91684287
2-hydroxy-N-(3-methoxyphenyl)-N-methylacetamide
CID 70581132
4-[(3-methoxyphenyl)-methylcarbamoyl]benzoic acid
CID 62003468
4-methoxy-N-(3-methoxyphenyl)-N-methylbenzamide
CID 23508483
propan-2-yl N-(3-methoxyphenyl)-N-methylcarbamate
CID 116655313
N-(3-cyanophenyl)-2,2,2-trifluoro-N-methylacetamide
CID 55209867
3-(3-methoxy-N-methylanilino)-3-oxopropanoic acid
CID 22132899
N-(2-amino-3-hydroxypropyl)-2,2,2-trifluoro-N-(3-methoxyphenyl)acetamide
CID 87873943
2-[(Z)-N'-hydroxycarbamimidoyl]-N-(3-methoxyphenyl)-N,2-dimethylbutanamide
CID 114292902
N-(3-ethyl-4-methoxyphenyl)-2,2,2-trifluoro-N-methylacetamide
CID 115190181

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(3-methoxyphenyl)-N-methylacetamide?
The IUPAC name of 2,2,2-trifluoro-N-(3-methoxyphenyl)-N-methylacetamide (CID 64593233) is 2,2,2-trifluoro-N-(3-methoxyphenyl)-N-methylacetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(3-methoxyphenyl)-N-methylacetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(3-methoxyphenyl)-N-methylacetamide is COc1cccc(N(C)C(=O)C(F)(F)F)c1.
What is the InChIKey of 2,2,2-trifluoro-N-(3-methoxyphenyl)-N-methylacetamide?
The InChIKey is RIONBPWSKXGHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO2/c1-14(9(15)10(11,12)13)7-4-3-5-8(6-7)16-2/h3-6H,1-2H3.
What are the key properties of 2,2,2-trifluoro-N-(3-methoxyphenyl)-N-methylacetamide?
2,2,2-trifluoro-N-(3-methoxyphenyl)-N-methylacetamide has a molecular weight of 233.19 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(3-methoxyphenyl)-N-methylacetamide is sourced from PubChem (CID 64593233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).