3-(3-chlorophenoxy)-5-fluoroaniline

C12H9ClFNO — CID 80752304

IUPAC3-(3-chlorophenoxy)-5-fluoroaniline
SMILESNc1cc(F)cc(Oc2cccc(Cl)c2)c1
InChIInChI=1S/C12H9ClFNO/c13-8-2-1-3-11(4-8)16-12-6-9(14)5-10(15)7-12/h1-7H,15H2
InChIKeyIWXYSTRQPIQZSP-UHFFFAOYSA-N
MW237.66 g/mol
LogP3.85
Rot. Bonds2

About 3-(3-chlorophenoxy)-5-fluoroaniline

3-(3-chlorophenoxy)-5-fluoroaniline (PubChem CID 80752304) has the molecular formula C12H9ClFNO and a molecular weight of 237.66 g/mol. Its IUPAC name is 3-(3-chlorophenoxy)-5-fluoroaniline.

Molecular Properties

Compound Name3-(3-chlorophenoxy)-5-fluoroaniline
PubChem CID80752304
Molecular FormulaC12H9ClFNO
Molecular Weight237.66 g/mol
Exact Mass237.04
IUPAC Name3-(3-chlorophenoxy)-5-fluoroaniline
SMILESNc1cc(F)cc(Oc2cccc(Cl)c2)c1
InChIInChI=1S/C12H9ClFNO/c13-8-2-1-3-11(4-8)16-12-6-9(14)5-10(15)7-12/h1-7H,15H2
InChIKeyIWXYSTRQPIQZSP-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 3-(3-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

3-(3-chlorophenoxy)-5-methoxyaniline
CID 80748712
3-(3-chlorophenoxy)-5-propan-2-yloxyaniline
CID 80748608
[3-(3-chlorophenoxy)-5-fluorophenyl]methanol
CID 106530131
1-(3-chlorophenoxy)-3-fluoro-5-nitrobenzene
CID 80753305
4-(3-chloro-5-fluorophenoxy)aniline
CID 67236679
2-(3-chlorophenoxy)-4-fluoroaniline
CID 62378026
N-[[3-(3-chlorophenoxy)-5-fluorophenyl]methyl]cyclopropanamine
CID 106533350
3-[3,5-bis(3-aminophenoxy)phenoxy]aniline
CID 19698881
3,5-difluoro-4-(3-fluorophenoxy)aniline
CID 54902903
3-fluoro-5-naphthalen-1-yloxyaniline;N-(3-fluoro-5-phenoxyphenyl)hydroxylamine
CID 159187818
3-[3-(3-amino-5-methylphenoxy)phenoxy]-5-methylaniline
CID 19762800
1-chloro-3-(3-methylphenoxy)benzene;ethane
CID 153343625

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenoxy)-5-fluoroaniline?
The IUPAC name of 3-(3-chlorophenoxy)-5-fluoroaniline (CID 80752304) is 3-(3-chlorophenoxy)-5-fluoroaniline.
What is the SMILES notation for 3-(3-chlorophenoxy)-5-fluoroaniline?
The canonical SMILES for 3-(3-chlorophenoxy)-5-fluoroaniline is Nc1cc(F)cc(Oc2cccc(Cl)c2)c1.
What is the InChIKey of 3-(3-chlorophenoxy)-5-fluoroaniline?
The InChIKey is IWXYSTRQPIQZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFNO/c13-8-2-1-3-11(4-8)16-12-6-9(14)5-10(15)7-12/h1-7H,15H2.
What are the key properties of 3-(3-chlorophenoxy)-5-fluoroaniline?
3-(3-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 3-(3-chlorophenoxy)-5-fluoroaniline is sourced from PubChem (CID 80752304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).