4-(2-chloro-4-fluorophenoxy)-3,5-difluoroaniline

C12H7ClF3NO — CID 54902948

IUPAC4-(2-chloro-4-fluorophenoxy)-3,5-difluoroaniline
SMILESNc1cc(F)c(Oc2ccc(F)cc2Cl)c(F)c1
InChIInChI=1S/C12H7ClF3NO/c13-8-3-6(14)1-2-11(8)18-12-9(15)4-7(17)5-10(12)16/h1-5H,17H2
InChIKeyAEEWKIQIPMNIBZ-UHFFFAOYSA-N
MW273.64 g/mol
LogP4.13
Rot. Bonds2

About 4-(2-chloro-4-fluorophenoxy)-3,5-difluoroaniline

4-(2-chloro-4-fluorophenoxy)-3,5-difluoroaniline (PubChem CID 54902948) has the molecular formula C12H7ClF3NO and a molecular weight of 273.64 g/mol. Its IUPAC name is 4-(2-chloro-4-fluorophenoxy)-3,5-difluoroaniline.

Molecular Properties

Compound Name4-(2-chloro-4-fluorophenoxy)-3,5-difluoroaniline
PubChem CID54902948
Molecular FormulaC12H7ClF3NO
Molecular Weight273.64 g/mol
Exact Mass273.02
IUPAC Name4-(2-chloro-4-fluorophenoxy)-3,5-difluoroaniline
SMILESNc1cc(F)c(Oc2ccc(F)cc2Cl)c(F)c1
InChIInChI=1S/C12H7ClF3NO/c13-8-3-6(14)1-2-11(8)18-12-9(15)4-7(17)5-10(12)16/h1-5H,17H2
InChIKeyAEEWKIQIPMNIBZ-UHFFFAOYSA-N
XLogP4.13
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.64
LogP ≤ 54.13
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

4-(4-bromo-2-chlorophenoxy)-3,5-difluoroaniline
CID 54902585
2-[4-(2-chloro-4-fluorophenoxy)-3,5-difluorophenyl]ethanamine
CID 63816437
1-[4-(2-chloro-4-fluorophenoxy)-3,5-difluorophenyl]propan-2-amine
CID 63817670
5-chloro-2-(2-chloro-4-fluorophenoxy)-4-fluoroaniline
CID 66077320
3-chloro-4-(2,5-difluorophenoxy)aniline
CID 63268649
3-(2-chloro-4-fluorophenoxy)-5-methylaniline
CID 112648439
4-(2-chloro-4-fluorophenoxy)-3-(4-fluorophenoxy)aniline
CID 139337332
6-(2-chloro-4-fluorophenoxy)quinolin-5-amine
CID 60970898
2-[4-(2,4-dichlorophenoxy)-3,5-difluorophenyl]ethanamine
CID 63803798
4-(2-chloro-4-fluorophenoxy)quinazolin-6-amine
CID 64587942
3,5-difluoro-4-(3-fluorophenoxy)aniline
CID 54902903
3-[(2-chloro-4-fluorophenoxy)methyl]-5-fluoroaniline
CID 112646523

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-fluorophenoxy)-3,5-difluoroaniline?
The IUPAC name of 4-(2-chloro-4-fluorophenoxy)-3,5-difluoroaniline (CID 54902948) is 4-(2-chloro-4-fluorophenoxy)-3,5-difluoroaniline.
What is the SMILES notation for 4-(2-chloro-4-fluorophenoxy)-3,5-difluoroaniline?
The canonical SMILES for 4-(2-chloro-4-fluorophenoxy)-3,5-difluoroaniline is Nc1cc(F)c(Oc2ccc(F)cc2Cl)c(F)c1.
What is the InChIKey of 4-(2-chloro-4-fluorophenoxy)-3,5-difluoroaniline?
The InChIKey is AEEWKIQIPMNIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClF3NO/c13-8-3-6(14)1-2-11(8)18-12-9(15)4-7(17)5-10(12)16/h1-5H,17H2.
What are the key properties of 4-(2-chloro-4-fluorophenoxy)-3,5-difluoroaniline?
4-(2-chloro-4-fluorophenoxy)-3,5-difluoroaniline has a molecular weight of 273.64 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-fluorophenoxy)-3,5-difluoroaniline is sourced from PubChem (CID 54902948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).