2,2,2-trifluoro-N-[(5-fluoro-2-methoxyphenyl)methyl]acetamide

C10H9F4NO2 — CID 115190235

IUPAC2,2,2-trifluoro-N-[(5-fluoro-2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(F)cc1CNC(=O)C(F)(F)F
InChIInChI=1S/C10H9F4NO2/c1-17-8-3-2-7(11)4-6(8)5-15-9(16)10(12,13)14/h2-4H,5H2,1H3,(H,15,16)
InChIKeyIMOASPQTXBAANQ-UHFFFAOYSA-N
MW251.18 g/mol
LogP2.01
Rot. Bonds3

About 2,2,2-trifluoro-N-[(5-fluoro-2-methoxyphenyl)methyl]acetamide

2,2,2-trifluoro-N-[(5-fluoro-2-methoxyphenyl)methyl]acetamide (PubChem CID 115190235) has the molecular formula C10H9F4NO2 and a molecular weight of 251.18 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(5-fluoro-2-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(5-fluoro-2-methoxyphenyl)methyl]acetamide
PubChem CID115190235
Molecular FormulaC10H9F4NO2
Molecular Weight251.18 g/mol
Exact Mass251.06
IUPAC Name2,2,2-trifluoro-N-[(5-fluoro-2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(F)cc1CNC(=O)C(F)(F)F
InChIInChI=1S/C10H9F4NO2/c1-17-8-3-2-7(11)4-6(8)5-15-9(16)10(12,13)14/h2-4H,5H2,1H3,(H,15,16)
InChIKeyIMOASPQTXBAANQ-UHFFFAOYSA-N
XLogP2.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.18
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,2,2-trifluoro-N-[(5-fluoro-2-methoxyphenyl)methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5-fluoro-2-methoxyphenyl)methyl]-2-oxopropanamide
CID 115175593
2-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]acetamide
CID 82126824
N-[(5-fluoro-2-methoxyphenyl)methyl]-2-(2-methoxyphenyl)acetamide
CID 110780208
N-[(2,5-difluoro-4-methoxyphenyl)methyl]-2,2,2-trifluoroacetamide
CID 115190275
N-[(5-fluoro-2-methoxyphenyl)methyl]-3-methylbutanamide
CID 110780143
4-[(5-fluoro-2-methoxyphenyl)methylamino]-4-oxobutanoic acid
CID 94691306
3-chloro-N-[(5-fluoro-2-methoxyphenyl)methyl]propanamide
CID 115162483
4-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]-4-methylpentanamide
CID 115157575
2,2,2-trifluoro-N-[(4-methoxy-2,5-dimethylphenyl)methyl]acetamide
CID 115190244
N-[(5-fluoro-2-methoxyphenyl)methyl]-3,5-dimethoxybenzamide
CID 110780162
1-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 115189779
5-[(5-fluoro-2-methoxyphenyl)methylamino]-5-oxopentanoic acid
CID 94696058

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(5-fluoro-2-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(5-fluoro-2-methoxyphenyl)methyl]acetamide (CID 115190235) is 2,2,2-trifluoro-N-[(5-fluoro-2-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(5-fluoro-2-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(5-fluoro-2-methoxyphenyl)methyl]acetamide is COc1ccc(F)cc1CNC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(5-fluoro-2-methoxyphenyl)methyl]acetamide?
The InChIKey is IMOASPQTXBAANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F4NO2/c1-17-8-3-2-7(11)4-6(8)5-15-9(16)10(12,13)14/h2-4H,5H2,1H3,(H,15,16).
What are the key properties of 2,2,2-trifluoro-N-[(5-fluoro-2-methoxyphenyl)methyl]acetamide?
2,2,2-trifluoro-N-[(5-fluoro-2-methoxyphenyl)methyl]acetamide has a molecular weight of 251.18 g/mol, XLogP of 2.01, 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-[(5-fluoro-2-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 115190235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).