4-(methoxymethoxy)-3-(trifluoromethyl)aniline

C9H10F3NO2 — CID 65365194

IUPAC4-(methoxymethoxy)-3-(trifluoromethyl)aniline
SMILESCOCOc1ccc(N)cc1C(F)(F)F
InChIInChI=1S/C9H10F3NO2/c1-14-5-15-8-3-2-6(13)4-7(8)9(10,11)12/h2-4H,5,13H2,1H3
InChIKeyQMSAYNXLCLSDGQ-UHFFFAOYSA-N
MW221.18 g/mol
LogP2.27
Rot. Bonds3

About 4-(methoxymethoxy)-3-(trifluoromethyl)aniline

4-(methoxymethoxy)-3-(trifluoromethyl)aniline (PubChem CID 65365194) has the molecular formula C9H10F3NO2 and a molecular weight of 221.18 g/mol. Its IUPAC name is 4-(methoxymethoxy)-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-(methoxymethoxy)-3-(trifluoromethyl)aniline
PubChem CID65365194
Molecular FormulaC9H10F3NO2
Molecular Weight221.18 g/mol
Exact Mass221.07
IUPAC Name4-(methoxymethoxy)-3-(trifluoromethyl)aniline
SMILESCOCOc1ccc(N)cc1C(F)(F)F
InChIInChI=1S/C9H10F3NO2/c1-14-5-15-8-3-2-6(13)4-7(8)9(10,11)12/h2-4H,5,13H2,1H3
InChIKeyQMSAYNXLCLSDGQ-UHFFFAOYSA-N
XLogP2.27
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-[4-amino-2-(trifluoromethyl)phenoxy]-3-(trifluoromethyl)aniline;hydrochloride
CID 22906581
1-[4-(methoxymethoxy)-3-(trifluoromethyl)phenyl]propan-2-amine
CID 65364910
4-(2-ethylsulfonylethoxy)-3-(trifluoromethyl)aniline
CID 61389495
3-(methoxymethoxy)-4-methylaniline
CID 65365143
2-[4-amino-2-(trifluoromethyl)phenoxy]-N-propan-2-ylacetamide
CID 61389475
3-[4-amino-2-(trifluoromethyl)phenoxy]-N-methylpropanamide
CID 62324537
4-(2-cyclobutylethoxy)-3-(trifluoromethyl)aniline
CID 106199812
4-[tert-butyl(dimethyl)silyl]oxy-3-(trifluoromethyl)aniline
CID 167742653
4-(5-iodopyrimidin-4-yl)oxy-3-(trifluoromethyl)aniline
CID 66342844
4-[4-[4-amino-2-(trifluoromethyl)phenoxy]phenoxy]-3-(trifluoromethyl)aniline;4-[4-[4-[4-amino-2-(trifluoromethyl)phenoxy]phenyl]phenoxy]-3-(trifluoromethyl)aniline
CID 19805070
4-[4-methoxy-3-(trifluoromethyl)phenyl]aniline
CID 166784771
methyl 5-amino-2-(methoxymethoxy)benzoate
CID 106955744

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethoxy)-3-(trifluoromethyl)aniline?
The IUPAC name of 4-(methoxymethoxy)-3-(trifluoromethyl)aniline (CID 65365194) is 4-(methoxymethoxy)-3-(trifluoromethyl)aniline.
What is the SMILES notation for 4-(methoxymethoxy)-3-(trifluoromethyl)aniline?
The canonical SMILES for 4-(methoxymethoxy)-3-(trifluoromethyl)aniline is COCOc1ccc(N)cc1C(F)(F)F.
What is the InChIKey of 4-(methoxymethoxy)-3-(trifluoromethyl)aniline?
The InChIKey is QMSAYNXLCLSDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO2/c1-14-5-15-8-3-2-6(13)4-7(8)9(10,11)12/h2-4H,5,13H2,1H3.
What are the key properties of 4-(methoxymethoxy)-3-(trifluoromethyl)aniline?
4-(methoxymethoxy)-3-(trifluoromethyl)aniline has a molecular weight of 221.18 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethoxy)-3-(trifluoromethyl)aniline is sourced from PubChem (CID 65365194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).