5-fluoro-4-methoxy-2-(2,2,2-trifluoroethoxy)aniline

C9H9F4NO2 — CID 63599497

IUPAC5-fluoro-4-methoxy-2-(2,2,2-trifluoroethoxy)aniline
SMILESCOc1cc(OCC(F)(F)F)c(N)cc1F
InChIInChI=1S/C9H9F4NO2/c1-15-7-3-8(6(14)2-5(7)10)16-4-9(11,12)13/h2-3H,4,14H2,1H3
InChIKeyGEDODHGXERIXQU-UHFFFAOYSA-N
MW239.17 g/mol
LogP2.36
Rot. Bonds3

About 5-fluoro-4-methoxy-2-(2,2,2-trifluoroethoxy)aniline

5-fluoro-4-methoxy-2-(2,2,2-trifluoroethoxy)aniline (PubChem CID 63599497) has the molecular formula C9H9F4NO2 and a molecular weight of 239.17 g/mol. Its IUPAC name is 5-fluoro-4-methoxy-2-(2,2,2-trifluoroethoxy)aniline.

Molecular Properties

Compound Name5-fluoro-4-methoxy-2-(2,2,2-trifluoroethoxy)aniline
PubChem CID63599497
Molecular FormulaC9H9F4NO2
Molecular Weight239.17 g/mol
Exact Mass239.06
IUPAC Name5-fluoro-4-methoxy-2-(2,2,2-trifluoroethoxy)aniline
SMILESCOc1cc(OCC(F)(F)F)c(N)cc1F
InChIInChI=1S/C9H9F4NO2/c1-15-7-3-8(6(14)2-5(7)10)16-4-9(11,12)13/h2-3H,4,14H2,1H3
InChIKeyGEDODHGXERIXQU-UHFFFAOYSA-N
XLogP2.36
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.17
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(cyclopropylmethoxy)-5-fluoro-4-methoxyaniline
CID 63599683
5-methoxy-2-(2,2,2-trifluoroethoxy)aniline
CID 16777766
2,5-difluoro-4-methoxyaniline
CID 45090681
4-(3,3-dimethylbutoxy)-5-fluoro-2-methoxyaniline
CID 107259923
5-fluoro-4-methoxy-2-[2-(trifluoromethyl)phenoxy]aniline
CID 63599659
2-(cyclohexylmethoxy)-5-fluoro-4-methoxyaniline
CID 63599846
1-bromo-2-fluoro-5-methoxy-4-(2,2,2-trifluoroethoxy)benzene
CID 155923682
2-amino-4-methoxy-5-(2,2,2-trifluoroethoxy)benzoic acid
CID 43380092
2-[2-(dimethylamino)-2-methylpropoxy]-4-ethoxy-5-fluoroaniline
CID 79679930
5-fluoro-4-methyl-2-(2,2,3,3,3-pentafluoropropoxy)aniline
CID 103591059
2-[2-(dimethylamino)-2-methylpropoxy]-4,5-dimethoxyaniline
CID 83007835
2-fluoro-5-methoxybenzene-1,4-diamine
CID 107258755

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methoxy-2-(2,2,2-trifluoroethoxy)aniline?
The IUPAC name of 5-fluoro-4-methoxy-2-(2,2,2-trifluoroethoxy)aniline (CID 63599497) is 5-fluoro-4-methoxy-2-(2,2,2-trifluoroethoxy)aniline.
What is the SMILES notation for 5-fluoro-4-methoxy-2-(2,2,2-trifluoroethoxy)aniline?
The canonical SMILES for 5-fluoro-4-methoxy-2-(2,2,2-trifluoroethoxy)aniline is COc1cc(OCC(F)(F)F)c(N)cc1F.
What is the InChIKey of 5-fluoro-4-methoxy-2-(2,2,2-trifluoroethoxy)aniline?
The InChIKey is GEDODHGXERIXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F4NO2/c1-15-7-3-8(6(14)2-5(7)10)16-4-9(11,12)13/h2-3H,4,14H2,1H3.
What are the key properties of 5-fluoro-4-methoxy-2-(2,2,2-trifluoroethoxy)aniline?
5-fluoro-4-methoxy-2-(2,2,2-trifluoroethoxy)aniline has a molecular weight of 239.17 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methoxy-2-(2,2,2-trifluoroethoxy)aniline is sourced from PubChem (CID 63599497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).