5-chloro-N-methoxy-2-(2,2,2-trifluoroethoxy)aniline

C9H9ClF3NO2 — CID 154968259

IUPAC5-chloro-N-methoxy-2-(2,2,2-trifluoroethoxy)aniline
SMILESCONc1cc(Cl)ccc1OCC(F)(F)F
InChIInChI=1S/C9H9ClF3NO2/c1-15-14-7-4-6(10)2-3-8(7)16-5-9(11,12)13/h2-4,14H,5H2,1H3
InChIKeyJLNMYLSXPHOMLI-UHFFFAOYSA-N
MW255.62 g/mol
LogP3.25
Rot. Bonds4

About 5-chloro-N-methoxy-2-(2,2,2-trifluoroethoxy)aniline

5-chloro-N-methoxy-2-(2,2,2-trifluoroethoxy)aniline (PubChem CID 154968259) has the molecular formula C9H9ClF3NO2 and a molecular weight of 255.62 g/mol. Its IUPAC name is 5-chloro-N-methoxy-2-(2,2,2-trifluoroethoxy)aniline.

Molecular Properties

Compound Name5-chloro-N-methoxy-2-(2,2,2-trifluoroethoxy)aniline
PubChem CID154968259
Molecular FormulaC9H9ClF3NO2
Molecular Weight255.62 g/mol
Exact Mass255.03
IUPAC Name5-chloro-N-methoxy-2-(2,2,2-trifluoroethoxy)aniline
SMILESCONc1cc(Cl)ccc1OCC(F)(F)F
InChIInChI=1S/C9H9ClF3NO2/c1-15-14-7-4-6(10)2-3-8(7)16-5-9(11,12)13/h2-4,14H,5H2,1H3
InChIKeyJLNMYLSXPHOMLI-UHFFFAOYSA-N
XLogP3.25
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.62
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2-propan-2-yl-1-(2,2,2-trifluoroethoxy)benzene
CID 18741298
2-(4-chlorophenoxy)-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 134027239
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 134027266
1-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(1-hydroxypropan-2-yl)urea
CID 110891123
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2,6-difluorobenzamide
CID 134027237
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-4-fluorobenzamide
CID 30473788
4-[[5-chloro-2-(2,2,2-trifluoroethoxy)anilino]methyl]benzonitrile
CID 43052609
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-4-iodobenzamide
CID 55520956
2-[5-chloro-2-(2,2,2-trifluoroethoxy)anilino]-N-(2-methoxyphenyl)acetamide
CID 33482506
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2,3-dimethoxybenzamide
CID 134027238
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(2-methylphenyl)acetamide
CID 30473976
[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-oxoazanium
CID 154675748

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methoxy-2-(2,2,2-trifluoroethoxy)aniline?
The IUPAC name of 5-chloro-N-methoxy-2-(2,2,2-trifluoroethoxy)aniline (CID 154968259) is 5-chloro-N-methoxy-2-(2,2,2-trifluoroethoxy)aniline.
What is the SMILES notation for 5-chloro-N-methoxy-2-(2,2,2-trifluoroethoxy)aniline?
The canonical SMILES for 5-chloro-N-methoxy-2-(2,2,2-trifluoroethoxy)aniline is CONc1cc(Cl)ccc1OCC(F)(F)F.
What is the InChIKey of 5-chloro-N-methoxy-2-(2,2,2-trifluoroethoxy)aniline?
The InChIKey is JLNMYLSXPHOMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF3NO2/c1-15-14-7-4-6(10)2-3-8(7)16-5-9(11,12)13/h2-4,14H,5H2,1H3.
What are the key properties of 5-chloro-N-methoxy-2-(2,2,2-trifluoroethoxy)aniline?
5-chloro-N-methoxy-2-(2,2,2-trifluoroethoxy)aniline has a molecular weight of 255.62 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methoxy-2-(2,2,2-trifluoroethoxy)aniline is sourced from PubChem (CID 154968259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).