5-fluoro-4-methoxy-2-[2-(trifluoromethyl)phenoxy]aniline

C14H11F4NO2 — CID 63599659

IUPAC5-fluoro-4-methoxy-2-[2-(trifluoromethyl)phenoxy]aniline
SMILESCOc1cc(Oc2ccccc2C(F)(F)F)c(N)cc1F
InChIInChI=1S/C14H11F4NO2/c1-20-12-7-13(10(19)6-9(12)15)21-11-5-3-2-4-8(11)14(16,17)18/h2-7H,19H2,1H3
InChIKeyMVXUSDOMQZIOEB-UHFFFAOYSA-N
MW301.24 g/mol
LogP4.23
Rot. Bonds3

About 5-fluoro-4-methoxy-2-[2-(trifluoromethyl)phenoxy]aniline

5-fluoro-4-methoxy-2-[2-(trifluoromethyl)phenoxy]aniline (PubChem CID 63599659) has the molecular formula C14H11F4NO2 and a molecular weight of 301.24 g/mol. Its IUPAC name is 5-fluoro-4-methoxy-2-[2-(trifluoromethyl)phenoxy]aniline.

Molecular Properties

Compound Name5-fluoro-4-methoxy-2-[2-(trifluoromethyl)phenoxy]aniline
PubChem CID63599659
Molecular FormulaC14H11F4NO2
Molecular Weight301.24 g/mol
Exact Mass301.07
IUPAC Name5-fluoro-4-methoxy-2-[2-(trifluoromethyl)phenoxy]aniline
SMILESCOc1cc(Oc2ccccc2C(F)(F)F)c(N)cc1F
InChIInChI=1S/C14H11F4NO2/c1-20-12-7-13(10(19)6-9(12)15)21-11-5-3-2-4-8(11)14(16,17)18/h2-7H,19H2,1H3
InChIKeyMVXUSDOMQZIOEB-UHFFFAOYSA-N
XLogP4.23
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.24
LogP ≤ 54.23
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

2,4-bis(trifluoromethyl)-5-[2-(trifluoromethyl)phenoxy]aniline
CID 57128083
ethane;1-methoxy-2-(trifluoromethyl)benzene
CID 143508037
4-(2-ethoxyphenoxy)-5-fluoro-2-methoxyaniline
CID 107259770
5-fluoro-4-methoxy-2-(2,2,2-trifluoroethoxy)aniline
CID 63599497
2,5-bis(trifluoromethyl)-3-[2-(trifluoromethyl)phenoxy]aniline
CID 57012463
5-fluoro-4-methoxy-2-(4-methylphenoxy)aniline
CID 55215693
5-fluoro-2-methoxy-4-(2-propoxyphenoxy)aniline
CID 107259802
2-(4-amino-2-fluoro-5-methoxyphenoxy)benzamide
CID 107259815
2-(3,4-dimethylphenoxy)-5-fluoro-4-methoxyaniline
CID 63599666
5-fluoro-2-(4-iodophenoxy)-4-methoxyaniline
CID 63598441
3-methyl-4-[2-(trifluoromethyl)phenoxy]aniline
CID 18616432
2-(3-bromophenoxy)-5-fluoro-4-methoxyaniline
CID 63599508

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methoxy-2-[2-(trifluoromethyl)phenoxy]aniline?
The IUPAC name of 5-fluoro-4-methoxy-2-[2-(trifluoromethyl)phenoxy]aniline (CID 63599659) is 5-fluoro-4-methoxy-2-[2-(trifluoromethyl)phenoxy]aniline.
What is the SMILES notation for 5-fluoro-4-methoxy-2-[2-(trifluoromethyl)phenoxy]aniline?
The canonical SMILES for 5-fluoro-4-methoxy-2-[2-(trifluoromethyl)phenoxy]aniline is COc1cc(Oc2ccccc2C(F)(F)F)c(N)cc1F.
What is the InChIKey of 5-fluoro-4-methoxy-2-[2-(trifluoromethyl)phenoxy]aniline?
The InChIKey is MVXUSDOMQZIOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F4NO2/c1-20-12-7-13(10(19)6-9(12)15)21-11-5-3-2-4-8(11)14(16,17)18/h2-7H,19H2,1H3.
What are the key properties of 5-fluoro-4-methoxy-2-[2-(trifluoromethyl)phenoxy]aniline?
5-fluoro-4-methoxy-2-[2-(trifluoromethyl)phenoxy]aniline has a molecular weight of 301.24 g/mol, XLogP of 4.23, 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-(trifluoromethyl)phenoxy]aniline is sourced from PubChem (CID 63599659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).