2-(2,5-dichloro-4-ethoxyphenyl)-6-fluoroaniline

C14H12Cl2FNO — CID 107602971

IUPAC2-(2,5-dichloro-4-ethoxyphenyl)-6-fluoroaniline
SMILESCCOc1cc(Cl)c(-c2cccc(F)c2N)cc1Cl
InChIInChI=1S/C14H12Cl2FNO/c1-2-19-13-7-10(15)9(6-11(13)16)8-4-3-5-12(17)14(8)18/h3-7H,2,18H2,1H3
InChIKeyVWGNXPONIFYMTQ-UHFFFAOYSA-N
MW300.16 g/mol
LogP4.78
Rot. Bonds3

About 2-(2,5-dichloro-4-ethoxyphenyl)-6-fluoroaniline

2-(2,5-dichloro-4-ethoxyphenyl)-6-fluoroaniline (PubChem CID 107602971) has the molecular formula C14H12Cl2FNO and a molecular weight of 300.16 g/mol. Its IUPAC name is 2-(2,5-dichloro-4-ethoxyphenyl)-6-fluoroaniline.

Molecular Properties

Compound Name2-(2,5-dichloro-4-ethoxyphenyl)-6-fluoroaniline
PubChem CID107602971
Molecular FormulaC14H12Cl2FNO
Molecular Weight300.16 g/mol
Exact Mass299.03
IUPAC Name2-(2,5-dichloro-4-ethoxyphenyl)-6-fluoroaniline
SMILESCCOc1cc(Cl)c(-c2cccc(F)c2N)cc1Cl
InChIInChI=1S/C14H12Cl2FNO/c1-2-19-13-7-10(15)9(6-11(13)16)8-4-3-5-12(17)14(8)18/h3-7H,2,18H2,1H3
InChIKeyVWGNXPONIFYMTQ-UHFFFAOYSA-N
XLogP4.78
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichloro-4-ethoxyphenyl)-6-fluoroaniline?
The IUPAC name of 2-(2,5-dichloro-4-ethoxyphenyl)-6-fluoroaniline (CID 107602971) is 2-(2,5-dichloro-4-ethoxyphenyl)-6-fluoroaniline.
What is the SMILES notation for 2-(2,5-dichloro-4-ethoxyphenyl)-6-fluoroaniline?
The canonical SMILES for 2-(2,5-dichloro-4-ethoxyphenyl)-6-fluoroaniline is CCOc1cc(Cl)c(-c2cccc(F)c2N)cc1Cl.
What is the InChIKey of 2-(2,5-dichloro-4-ethoxyphenyl)-6-fluoroaniline?
The InChIKey is VWGNXPONIFYMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2FNO/c1-2-19-13-7-10(15)9(6-11(13)16)8-4-3-5-12(17)14(8)18/h3-7H,2,18H2,1H3.
What are the key properties of 2-(2,5-dichloro-4-ethoxyphenyl)-6-fluoroaniline?
2-(2,5-dichloro-4-ethoxyphenyl)-6-fluoroaniline has a molecular weight of 300.16 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichloro-4-ethoxyphenyl)-6-fluoroaniline is sourced from PubChem (CID 107602971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).