4-[2-(4-chlorophenyl)-1,1,2,2-tetrafluoroethoxy]-3-methoxyaniline

C15H12ClF4NO2 — CID 14100467

IUPAC4-[2-(4-chlorophenyl)-1,1,2,2-tetrafluoroethoxy]-3-methoxyaniline
SMILESCOc1cc(N)ccc1OC(F)(F)C(F)(F)c1ccc(Cl)cc1
InChIInChI=1S/C15H12ClF4NO2/c1-22-13-8-11(21)6-7-12(13)23-15(19,20)14(17,18)9-2-4-10(16)5-3-9/h2-8H,21H2,1H3
InChIKeyKEYCJXISESJQKH-UHFFFAOYSA-N
MW349.71 g/mol
LogP4.69
Rot. Bonds5

About 4-[2-(4-chlorophenyl)-1,1,2,2-tetrafluoroethoxy]-3-methoxyaniline

4-[2-(4-chlorophenyl)-1,1,2,2-tetrafluoroethoxy]-3-methoxyaniline (PubChem CID 14100467) has the molecular formula C15H12ClF4NO2 and a molecular weight of 349.71 g/mol. Its IUPAC name is 4-[2-(4-chlorophenyl)-1,1,2,2-tetrafluoroethoxy]-3-methoxyaniline.

Molecular Properties

Compound Name4-[2-(4-chlorophenyl)-1,1,2,2-tetrafluoroethoxy]-3-methoxyaniline
PubChem CID14100467
Molecular FormulaC15H12ClF4NO2
Molecular Weight349.71 g/mol
Exact Mass349.05
IUPAC Name4-[2-(4-chlorophenyl)-1,1,2,2-tetrafluoroethoxy]-3-methoxyaniline
SMILESCOc1cc(N)ccc1OC(F)(F)C(F)(F)c1ccc(Cl)cc1
InChIInChI=1S/C15H12ClF4NO2/c1-22-13-8-11(21)6-7-12(13)23-15(19,20)14(17,18)9-2-4-10(16)5-3-9/h2-8H,21H2,1H3
InChIKeyKEYCJXISESJQKH-UHFFFAOYSA-N
XLogP4.69
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.71
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chlorophenyl)-1,1,2,2-tetrafluoroethoxy]-3-methoxyaniline?
The IUPAC name of 4-[2-(4-chlorophenyl)-1,1,2,2-tetrafluoroethoxy]-3-methoxyaniline (CID 14100467) is 4-[2-(4-chlorophenyl)-1,1,2,2-tetrafluoroethoxy]-3-methoxyaniline.
What is the SMILES notation for 4-[2-(4-chlorophenyl)-1,1,2,2-tetrafluoroethoxy]-3-methoxyaniline?
The canonical SMILES for 4-[2-(4-chlorophenyl)-1,1,2,2-tetrafluoroethoxy]-3-methoxyaniline is COc1cc(N)ccc1OC(F)(F)C(F)(F)c1ccc(Cl)cc1.
What is the InChIKey of 4-[2-(4-chlorophenyl)-1,1,2,2-tetrafluoroethoxy]-3-methoxyaniline?
The InChIKey is KEYCJXISESJQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF4NO2/c1-22-13-8-11(21)6-7-12(13)23-15(19,20)14(17,18)9-2-4-10(16)5-3-9/h2-8H,21H2,1H3.
What are the key properties of 4-[2-(4-chlorophenyl)-1,1,2,2-tetrafluoroethoxy]-3-methoxyaniline?
4-[2-(4-chlorophenyl)-1,1,2,2-tetrafluoroethoxy]-3-methoxyaniline has a molecular weight of 349.71 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chlorophenyl)-1,1,2,2-tetrafluoroethoxy]-3-methoxyaniline is sourced from PubChem (CID 14100467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).