4-(3-chloro-5-fluorophenoxy)aniline

C12H9ClFNO — CID 67236679

IUPAC4-(3-chloro-5-fluorophenoxy)aniline
SMILESNc1ccc(Oc2cc(F)cc(Cl)c2)cc1
InChIInChI=1S/C12H9ClFNO/c13-8-5-9(14)7-12(6-8)16-11-3-1-10(15)2-4-11/h1-7H,15H2
InChIKeyLYRHKEYDJVVZQP-UHFFFAOYSA-N
MW237.66 g/mol
LogP3.85
Rot. Bonds2

About 4-(3-chloro-5-fluorophenoxy)aniline

4-(3-chloro-5-fluorophenoxy)aniline (PubChem CID 67236679) has the molecular formula C12H9ClFNO and a molecular weight of 237.66 g/mol. Its IUPAC name is 4-(3-chloro-5-fluorophenoxy)aniline.

Molecular Properties

Compound Name4-(3-chloro-5-fluorophenoxy)aniline
PubChem CID67236679
Molecular FormulaC12H9ClFNO
Molecular Weight237.66 g/mol
Exact Mass237.04
IUPAC Name4-(3-chloro-5-fluorophenoxy)aniline
SMILESNc1ccc(Oc2cc(F)cc(Cl)c2)cc1
InChIInChI=1S/C12H9ClFNO/c13-8-5-9(14)7-12(6-8)16-11-3-1-10(15)2-4-11/h1-7H,15H2
InChIKeyLYRHKEYDJVVZQP-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': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-5-fluorophenoxy)aniline?
The IUPAC name of 4-(3-chloro-5-fluorophenoxy)aniline (CID 67236679) is 4-(3-chloro-5-fluorophenoxy)aniline.
What is the SMILES notation for 4-(3-chloro-5-fluorophenoxy)aniline?
The canonical SMILES for 4-(3-chloro-5-fluorophenoxy)aniline is Nc1ccc(Oc2cc(F)cc(Cl)c2)cc1.
What is the InChIKey of 4-(3-chloro-5-fluorophenoxy)aniline?
The InChIKey is LYRHKEYDJVVZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFNO/c13-8-5-9(14)7-12(6-8)16-11-3-1-10(15)2-4-11/h1-7H,15H2.
What are the key properties of 4-(3-chloro-5-fluorophenoxy)aniline?
4-(3-chloro-5-fluorophenoxy)aniline 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 4-(3-chloro-5-fluorophenoxy)aniline is sourced from PubChem (CID 67236679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).