N-[(2,5-difluoro-4-methoxyphenyl)methyl]-2,2,2-trifluoroacetamide

C10H8F5NO2 — CID 115190275

IUPACN-[(2,5-difluoro-4-methoxyphenyl)methyl]-2,2,2-trifluoroacetamide
SMILESCOc1cc(F)c(CNC(=O)C(F)(F)F)cc1F
InChIInChI=1S/C10H8F5NO2/c1-18-8-3-6(11)5(2-7(8)12)4-16-9(17)10(13,14)15/h2-3H,4H2,1H3,(H,16,17)
InChIKeySJYQQXAULDXLIJ-UHFFFAOYSA-N
MW269.17 g/mol
LogP2.15
Rot. Bonds3

About N-[(2,5-difluoro-4-methoxyphenyl)methyl]-2,2,2-trifluoroacetamide

N-[(2,5-difluoro-4-methoxyphenyl)methyl]-2,2,2-trifluoroacetamide (PubChem CID 115190275) has the molecular formula C10H8F5NO2 and a molecular weight of 269.17 g/mol. Its IUPAC name is N-[(2,5-difluoro-4-methoxyphenyl)methyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[(2,5-difluoro-4-methoxyphenyl)methyl]-2,2,2-trifluoroacetamide
PubChem CID115190275
Molecular FormulaC10H8F5NO2
Molecular Weight269.17 g/mol
Exact Mass269.05
IUPAC NameN-[(2,5-difluoro-4-methoxyphenyl)methyl]-2,2,2-trifluoroacetamide
SMILESCOc1cc(F)c(CNC(=O)C(F)(F)F)cc1F
InChIInChI=1S/C10H8F5NO2/c1-18-8-3-6(11)5(2-7(8)12)4-16-9(17)10(13,14)15/h2-3H,4H2,1H3,(H,16,17)
InChIKeySJYQQXAULDXLIJ-UHFFFAOYSA-N
XLogP2.15
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.17
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2,5-difluoro-4-methoxyphenyl)methylamino]-3-oxopropanoic acid
CID 115163429
2,2,2-trifluoro-N-[(5-fluoro-2-methoxyphenyl)methyl]acetamide
CID 115190235
2-amino-N-[(2,5-difluoro-4-methoxyphenyl)methyl]propanamide
CID 115152405
2,2,2-trifluoro-N-[(4-methoxy-2,5-dimethylphenyl)methyl]acetamide
CID 115190244
N-[(4-amino-5-methoxy-2-methylphenyl)methyl]-2,2,2-trifluoroacetamide
CID 122629173
(2,5-difluoro-4-methoxyphenyl)methylhydrazine
CID 116932362
2-(2,5-difluoro-4-methoxyphenyl)-N',N'-dimethylacetohydrazide
CID 116847504
2-(2,5-difluoro-4-methoxyphenyl)ethylcarbamic acid
CID 115171185
3-[(2,5-difluoro-4-methoxyphenyl)methylamino]-2-methylpropanoic acid
CID 115219467
2,2,2-trifluoro-N-[(2,4,5-trimethylphenyl)methyl]acetamide
CID 115190257
N-[(2-chloro-5-fluoro-4-methylphenyl)methyl]-2,2,2-trifluoroacetamide
CID 115190282
3-[(2,5-difluoro-4-methoxyphenyl)methylamino]-3-methylbutan-1-ol
CID 115134092

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluoro-4-methoxyphenyl)methyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[(2,5-difluoro-4-methoxyphenyl)methyl]-2,2,2-trifluoroacetamide (CID 115190275) is N-[(2,5-difluoro-4-methoxyphenyl)methyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[(2,5-difluoro-4-methoxyphenyl)methyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[(2,5-difluoro-4-methoxyphenyl)methyl]-2,2,2-trifluoroacetamide is COc1cc(F)c(CNC(=O)C(F)(F)F)cc1F.
What is the InChIKey of N-[(2,5-difluoro-4-methoxyphenyl)methyl]-2,2,2-trifluoroacetamide?
The InChIKey is SJYQQXAULDXLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F5NO2/c1-18-8-3-6(11)5(2-7(8)12)4-16-9(17)10(13,14)15/h2-3H,4H2,1H3,(H,16,17).
What are the key properties of N-[(2,5-difluoro-4-methoxyphenyl)methyl]-2,2,2-trifluoroacetamide?
N-[(2,5-difluoro-4-methoxyphenyl)methyl]-2,2,2-trifluoroacetamide has a molecular weight of 269.17 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluoro-4-methoxyphenyl)methyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 115190275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).