3-(2,4-difluorophenoxy)aniline

C12H9F2NO — CID 71424948

IUPAC3-(2,4-difluorophenoxy)aniline
SMILESNc1cccc(Oc2ccc(F)cc2F)c1
InChIInChI=1S/C12H9F2NO/c13-8-4-5-12(11(14)6-8)16-10-3-1-2-9(15)7-10/h1-7H,15H2
InChIKeyZOMLINWQGIQUJQ-UHFFFAOYSA-N
MW221.21 g/mol
LogP3.34
Rot. Bonds2

About 3-(2,4-difluorophenoxy)aniline

3-(2,4-difluorophenoxy)aniline (PubChem CID 71424948) has the molecular formula C12H9F2NO and a molecular weight of 221.21 g/mol. Its IUPAC name is 3-(2,4-difluorophenoxy)aniline.

Molecular Properties

Compound Name3-(2,4-difluorophenoxy)aniline
PubChem CID71424948
Molecular FormulaC12H9F2NO
Molecular Weight221.21 g/mol
Exact Mass221.07
IUPAC Name3-(2,4-difluorophenoxy)aniline
SMILESNc1cccc(Oc2ccc(F)cc2F)c1
InChIInChI=1S/C12H9F2NO/c13-8-4-5-12(11(14)6-8)16-10-3-1-2-9(15)7-10/h1-7H,15H2
InChIKeyZOMLINWQGIQUJQ-UHFFFAOYSA-N
XLogP3.34
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(3-aminophenoxy)phenoxy]aniline
CID 22184040
3-[4-(3-aminophenoxy)naphthalen-1-yl]oxyaniline
CID 66887751
3-(3,5-difluoro-2-nitrophenoxy)aniline
CID 115509825
3-[2-[4-[3-[2-[3-[4-[2-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline
CID 22338477
3-[4-[4-[2-[2-[4-[4-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline
CID 22338441
3-[4-[2-[2-[4-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]aniline
CID 22338564
3-[2-(3-phenoxyphenoxy)phenoxy]aniline
CID 141038666
[3-fluoro-4-(3-fluorophenoxy)phenyl]methanamine
CID 28966240
4-(4-aminophenoxy)-3-fluoroaniline
CID 66486728
3-[3,5-bis(3-aminophenoxy)phenoxy]aniline
CID 19698881
3-[3-[3-[3-[3-(3-aminophenoxy)phenoxy]-2-chlorophenoxy]-2-chlorophenoxy]phenoxy]aniline
CID 22338531
4-(2,4-difluorophenoxy)pyridin-3-amine
CID 28890071

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenoxy)aniline?
The IUPAC name of 3-(2,4-difluorophenoxy)aniline (CID 71424948) is 3-(2,4-difluorophenoxy)aniline.
What is the SMILES notation for 3-(2,4-difluorophenoxy)aniline?
The canonical SMILES for 3-(2,4-difluorophenoxy)aniline is Nc1cccc(Oc2ccc(F)cc2F)c1.
What is the InChIKey of 3-(2,4-difluorophenoxy)aniline?
The InChIKey is ZOMLINWQGIQUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2NO/c13-8-4-5-12(11(14)6-8)16-10-3-1-2-9(15)7-10/h1-7H,15H2.
What are the key properties of 3-(2,4-difluorophenoxy)aniline?
3-(2,4-difluorophenoxy)aniline has a molecular weight of 221.21 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenoxy)aniline is sourced from PubChem (CID 71424948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).