4-[4-(difluoromethoxy)phenoxy]aniline

C13H11F2NO2 — CID 71414941

IUPAC4-[4-(difluoromethoxy)phenoxy]aniline
SMILESNc1ccc(Oc2ccc(OC(F)F)cc2)cc1
InChIInChI=1S/C13H11F2NO2/c14-13(15)18-12-7-5-11(6-8-12)17-10-3-1-9(16)2-4-10/h1-8,13H,16H2
InChIKeyBBTQOFFWVJVCAA-UHFFFAOYSA-N
MW251.23 g/mol
LogP3.66
Rot. Bonds4

About 4-[4-(difluoromethoxy)phenoxy]aniline

4-[4-(difluoromethoxy)phenoxy]aniline (PubChem CID 71414941) has the molecular formula C13H11F2NO2 and a molecular weight of 251.23 g/mol. Its IUPAC name is 4-[4-(difluoromethoxy)phenoxy]aniline.

Molecular Properties

Compound Name4-[4-(difluoromethoxy)phenoxy]aniline
PubChem CID71414941
Molecular FormulaC13H11F2NO2
Molecular Weight251.23 g/mol
Exact Mass251.08
IUPAC Name4-[4-(difluoromethoxy)phenoxy]aniline
SMILESNc1ccc(Oc2ccc(OC(F)F)cc2)cc1
InChIInChI=1S/C13H11F2NO2/c14-13(15)18-12-7-5-11(6-8-12)17-10-3-1-9(16)2-4-10/h1-8,13H,16H2
InChIKeyBBTQOFFWVJVCAA-UHFFFAOYSA-N
XLogP3.66
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.23
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(difluoromethoxy)aniline
CID 737363
4-(4-aminophenoxy)aniline
CID 161415647
4-phenoxyaniline
CID 158390066
4-[3-[4-(difluoromethoxy)phenyl]but-1-ynyl]aniline
CID 141463809
4-[4-(2-chloro-1,1,2-trifluoroethoxy)phenoxy]aniline
CID 71414939
4-[6-(4-aminophenoxy)naphthalen-2-yl]oxyaniline
CID 21253702
4-(1,2,2,3,3,3-hexafluoropropoxy)aniline
CID 174979795
4-[1-[4-(4-aminophenoxy)phenyl]ethyl]aniline
CID 70667408
4-[3-(4-aminophenoxy)-5-chlorophenoxy]aniline
CID 141268738
4-[(4-aminophenoxy)-(4-aminophenyl)methyl]aniline
CID 57089892
4-[3-(4-aminophenoxy)phenoxy]aniline;benzene-1,4-diamine
CID 158070504
4-[4-bis[4-(4-aminophenoxy)phenyl]phosphanylphenoxy]aniline
CID 142398377

Frequently Asked Questions

What is the IUPAC name of 4-[4-(difluoromethoxy)phenoxy]aniline?
The IUPAC name of 4-[4-(difluoromethoxy)phenoxy]aniline (CID 71414941) is 4-[4-(difluoromethoxy)phenoxy]aniline.
What is the SMILES notation for 4-[4-(difluoromethoxy)phenoxy]aniline?
The canonical SMILES for 4-[4-(difluoromethoxy)phenoxy]aniline is Nc1ccc(Oc2ccc(OC(F)F)cc2)cc1.
What is the InChIKey of 4-[4-(difluoromethoxy)phenoxy]aniline?
The InChIKey is BBTQOFFWVJVCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2NO2/c14-13(15)18-12-7-5-11(6-8-12)17-10-3-1-9(16)2-4-10/h1-8,13H,16H2.
What are the key properties of 4-[4-(difluoromethoxy)phenoxy]aniline?
4-[4-(difluoromethoxy)phenoxy]aniline has a molecular weight of 251.23 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(difluoromethoxy)phenoxy]aniline is sourced from PubChem (CID 71414941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).