3,5-difluoro-4-(3-fluorophenoxy)aniline

C12H8F3NO — CID 54902903

IUPAC3,5-difluoro-4-(3-fluorophenoxy)aniline
SMILESNc1cc(F)c(Oc2cccc(F)c2)c(F)c1
InChIInChI=1S/C12H8F3NO/c13-7-2-1-3-9(4-7)17-12-10(14)5-8(16)6-11(12)15/h1-6H,16H2
InChIKeyNOEUNZXYGHYZPV-UHFFFAOYSA-N
MW239.20 g/mol
LogP3.48
Rot. Bonds2

About 3,5-difluoro-4-(3-fluorophenoxy)aniline

3,5-difluoro-4-(3-fluorophenoxy)aniline (PubChem CID 54902903) has the molecular formula C12H8F3NO and a molecular weight of 239.20 g/mol. Its IUPAC name is 3,5-difluoro-4-(3-fluorophenoxy)aniline.

Molecular Properties

Compound Name3,5-difluoro-4-(3-fluorophenoxy)aniline
PubChem CID54902903
Molecular FormulaC12H8F3NO
Molecular Weight239.20 g/mol
Exact Mass239.06
IUPAC Name3,5-difluoro-4-(3-fluorophenoxy)aniline
SMILESNc1cc(F)c(Oc2cccc(F)c2)c(F)c1
InChIInChI=1S/C12H8F3NO/c13-7-2-1-3-9(4-7)17-12-10(14)5-8(16)6-11(12)15/h1-6H,16H2
InChIKeyNOEUNZXYGHYZPV-UHFFFAOYSA-N
XLogP3.48
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.20
LogP ≤ 53.48
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

CID 70640647
CID 70640647
5-(chloromethyl)-1,3-difluoro-2-(3-fluorophenoxy)benzene
CID 63076376
2-(3-fluorophenoxy)-3-methylaniline
CID 115550847
1,4-bis[3-(3-fluorophenoxy)phenoxy]benzene
CID 22338391
4-(6-bromonaphthalen-2-yl)oxy-3,5-difluoroaniline
CID 63456932
6-(3-fluorophenoxy)pyridin-3-amine
CID 16789868
4-[(2-chloro-4-pyridinyl)oxy]-3,5-difluoroaniline
CID 86641686
3,5-difluoro-4-(4-methylsulfanylphenoxy)aniline
CID 63649307
4-chloro-5-fluoro-2-(3-fluorophenoxy)aniline
CID 114089137
4-(2-chloro-4-fluorophenoxy)-3,5-difluoroaniline
CID 54902948
3-(2,4-difluorophenoxy)aniline
CID 71424948
1-fluoro-3-(3-iodophenoxy)benzene
CID 118960389

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-(3-fluorophenoxy)aniline?
The IUPAC name of 3,5-difluoro-4-(3-fluorophenoxy)aniline (CID 54902903) is 3,5-difluoro-4-(3-fluorophenoxy)aniline.
What is the SMILES notation for 3,5-difluoro-4-(3-fluorophenoxy)aniline?
The canonical SMILES for 3,5-difluoro-4-(3-fluorophenoxy)aniline is Nc1cc(F)c(Oc2cccc(F)c2)c(F)c1.
What is the InChIKey of 3,5-difluoro-4-(3-fluorophenoxy)aniline?
The InChIKey is NOEUNZXYGHYZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3NO/c13-7-2-1-3-9(4-7)17-12-10(14)5-8(16)6-11(12)15/h1-6H,16H2.
What are the key properties of 3,5-difluoro-4-(3-fluorophenoxy)aniline?
3,5-difluoro-4-(3-fluorophenoxy)aniline has a molecular weight of 239.20 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-(3-fluorophenoxy)aniline is sourced from PubChem (CID 54902903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).