2-(3-chlorophenoxy)-4-fluoroaniline

C12H9ClFNO — CID 62378026

IUPAC2-(3-chlorophenoxy)-4-fluoroaniline
SMILESNc1ccc(F)cc1Oc1cccc(Cl)c1
InChIInChI=1S/C12H9ClFNO/c13-8-2-1-3-10(6-8)16-12-7-9(14)4-5-11(12)15/h1-7H,15H2
InChIKeyXXTLNCPLDRJNBK-UHFFFAOYSA-N
MW237.66 g/mol
LogP3.85
Rot. Bonds2

About 2-(3-chlorophenoxy)-4-fluoroaniline

2-(3-chlorophenoxy)-4-fluoroaniline (PubChem CID 62378026) has the molecular formula C12H9ClFNO and a molecular weight of 237.66 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-4-fluoroaniline.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-4-fluoroaniline
PubChem CID62378026
Molecular FormulaC12H9ClFNO
Molecular Weight237.66 g/mol
Exact Mass237.04
IUPAC Name2-(3-chlorophenoxy)-4-fluoroaniline
SMILESNc1ccc(F)cc1Oc1cccc(Cl)c1
InChIInChI=1S/C12H9ClFNO/c13-8-2-1-3-10(6-8)16-12-7-9(14)4-5-11(12)15/h1-7H,15H2
InChIKeyXXTLNCPLDRJNBK-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'}

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Related Compounds

4-fluoro-2-(3-methylphenoxy)aniline
CID 62377841
4-fluoro-2-(3-methylsulfonylphenoxy)aniline
CID 62375952
4-chloro-5-fluoro-2-(3-fluorophenoxy)aniline
CID 114089137
3-(3-chlorophenoxy)-5-fluoroaniline
CID 80752304
2-(3,5-dimethylphenoxy)-4-fluoroaniline
CID 62377840
2-(4-bromo-3-fluorophenoxy)-4-fluoroaniline
CID 65203479
1-[2-(3-chlorophenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 43314250
1-[2-(3-chlorophenoxy)-6-fluorophenyl]ethanamine
CID 43189220
1,2-dichloro-3-(3-chlorophenoxy)benzene
CID 72941852
2-(2,6-dimethoxyphenoxy)-4-fluoroaniline
CID 62376643
2-(6-bromonaphthalen-2-yl)oxy-4-fluoroaniline
CID 63456931
2-(3-chlorophenoxy)-6-fluorobenzenecarbothioamide
CID 79519511

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-4-fluoroaniline?
The IUPAC name of 2-(3-chlorophenoxy)-4-fluoroaniline (CID 62378026) is 2-(3-chlorophenoxy)-4-fluoroaniline.
What is the SMILES notation for 2-(3-chlorophenoxy)-4-fluoroaniline?
The canonical SMILES for 2-(3-chlorophenoxy)-4-fluoroaniline is Nc1ccc(F)cc1Oc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenoxy)-4-fluoroaniline?
The InChIKey is XXTLNCPLDRJNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFNO/c13-8-2-1-3-10(6-8)16-12-7-9(14)4-5-11(12)15/h1-7H,15H2.
What are the key properties of 2-(3-chlorophenoxy)-4-fluoroaniline?
2-(3-chlorophenoxy)-4-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-(3-chlorophenoxy)-4-fluoroaniline is sourced from PubChem (CID 62378026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).