2-(4-chlorophenoxy)-5-fluoroaniline

C12H9ClFNO — CID 26189667

IUPAC2-(4-chlorophenoxy)-5-fluoroaniline
SMILESNc1cc(F)ccc1Oc1ccc(Cl)cc1
InChIInChI=1S/C12H9ClFNO/c13-8-1-4-10(5-2-8)16-12-6-3-9(14)7-11(12)15/h1-7H,15H2
InChIKeyKPKQWHYMNKRZTL-UHFFFAOYSA-N
MW237.66 g/mol
LogP3.85
Rot. Bonds2

About 2-(4-chlorophenoxy)-5-fluoroaniline

2-(4-chlorophenoxy)-5-fluoroaniline (PubChem CID 26189667) has the molecular formula C12H9ClFNO and a molecular weight of 237.66 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-5-fluoroaniline.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-5-fluoroaniline
PubChem CID26189667
Molecular FormulaC12H9ClFNO
Molecular Weight237.66 g/mol
Exact Mass237.04
IUPAC Name2-(4-chlorophenoxy)-5-fluoroaniline
SMILESNc1cc(F)ccc1Oc1ccc(Cl)cc1
InChIInChI=1S/C12H9ClFNO/c13-8-1-4-10(5-2-8)16-12-6-3-9(14)7-11(12)15/h1-7H,15H2
InChIKeyKPKQWHYMNKRZTL-UHFFFAOYSA-N
XLogP3.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.66
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(4-chlorophenoxy)-5-fluoroaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-chlorophenoxy)-1,4-difluorobenzene
CID 141112075
5-fluoro-2-(4-methylsulfanylphenoxy)aniline
CID 63649631
2-(4-tert-butylphenoxy)-5-fluoroaniline
CID 26189672
2-(4-chloro-3-methylphenoxy)-5-fluoroaniline
CID 26189668
2-(4-ethoxyphenoxy)-5-fluoroaniline
CID 19627143
3-amino-4-(4-fluorophenoxy)phenol
CID 14722260
2-[4-[(2R)-butan-2-yl]phenoxy]-5-fluoroaniline
CID 26189675
2-(5-bromo-2-fluorophenoxy)-5-fluoroaniline
CID 114671678
2-(3-chloro-4-fluorophenoxy)-5-(trifluoromethyl)aniline
CID 26189386
4-chloro-2-(chloromethyl)-1-(4-fluorophenoxy)benzene
CID 114846972
4-(4-aminophenoxy)-3-fluoroaniline
CID 66486728
4-(2-chloro-4-fluorophenoxy)-3-(4-fluorophenoxy)aniline
CID 139337332

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-5-fluoroaniline?
The IUPAC name of 2-(4-chlorophenoxy)-5-fluoroaniline (CID 26189667) is 2-(4-chlorophenoxy)-5-fluoroaniline.
What is the SMILES notation for 2-(4-chlorophenoxy)-5-fluoroaniline?
The canonical SMILES for 2-(4-chlorophenoxy)-5-fluoroaniline is Nc1cc(F)ccc1Oc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-5-fluoroaniline?
The InChIKey is KPKQWHYMNKRZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFNO/c13-8-1-4-10(5-2-8)16-12-6-3-9(14)7-11(12)15/h1-7H,15H2.
What are the key properties of 2-(4-chlorophenoxy)-5-fluoroaniline?
2-(4-chlorophenoxy)-5-fluoroaniline has a molecular weight of 237.66 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-5-fluoroaniline is sourced from PubChem (CID 26189667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).