4-prop-2-enoxy-3-(trifluoromethoxy)aniline

C10H10F3NO2 — CID 68685743

IUPAC4-prop-2-enoxy-3-(trifluoromethoxy)aniline
SMILESC=CCOc1ccc(N)cc1OC(F)(F)F
InChIInChI=1S/C10H10F3NO2/c1-2-5-15-8-4-3-7(14)6-9(8)16-10(11,12)13/h2-4,6H,1,5,14H2
InChIKeyUADJZYQXOXMDID-UHFFFAOYSA-N
MW233.19 g/mol
LogP2.73
Rot. Bonds4

About 4-prop-2-enoxy-3-(trifluoromethoxy)aniline

4-prop-2-enoxy-3-(trifluoromethoxy)aniline (PubChem CID 68685743) has the molecular formula C10H10F3NO2 and a molecular weight of 233.19 g/mol. Its IUPAC name is 4-prop-2-enoxy-3-(trifluoromethoxy)aniline.

Molecular Properties

Compound Name4-prop-2-enoxy-3-(trifluoromethoxy)aniline
PubChem CID68685743
Molecular FormulaC10H10F3NO2
Molecular Weight233.19 g/mol
Exact Mass233.07
IUPAC Name4-prop-2-enoxy-3-(trifluoromethoxy)aniline
SMILESC=CCOc1ccc(N)cc1OC(F)(F)F
InChIInChI=1S/C10H10F3NO2/c1-2-5-15-8-4-3-7(14)6-9(8)16-10(11,12)13/h2-4,6H,1,5,14H2
InChIKeyUADJZYQXOXMDID-UHFFFAOYSA-N
XLogP2.73
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-prop-2-enoxy-3-(trifluoromethoxy)aniline?
The IUPAC name of 4-prop-2-enoxy-3-(trifluoromethoxy)aniline (CID 68685743) is 4-prop-2-enoxy-3-(trifluoromethoxy)aniline.
What is the SMILES notation for 4-prop-2-enoxy-3-(trifluoromethoxy)aniline?
The canonical SMILES for 4-prop-2-enoxy-3-(trifluoromethoxy)aniline is C=CCOc1ccc(N)cc1OC(F)(F)F.
What is the InChIKey of 4-prop-2-enoxy-3-(trifluoromethoxy)aniline?
The InChIKey is UADJZYQXOXMDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO2/c1-2-5-15-8-4-3-7(14)6-9(8)16-10(11,12)13/h2-4,6H,1,5,14H2.
What are the key properties of 4-prop-2-enoxy-3-(trifluoromethoxy)aniline?
4-prop-2-enoxy-3-(trifluoromethoxy)aniline has a molecular weight of 233.19 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enoxy-3-(trifluoromethoxy)aniline is sourced from PubChem (CID 68685743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).