4,5-dichloro-2-(5-fluoro-2-methylphenoxy)aniline

C13H10Cl2FNO — CID 102980220

IUPAC4,5-dichloro-2-(5-fluoro-2-methylphenoxy)aniline
SMILESCc1ccc(F)cc1Oc1cc(Cl)c(Cl)cc1N
InChIInChI=1S/C13H10Cl2FNO/c1-7-2-3-8(16)4-12(7)18-13-6-10(15)9(14)5-11(13)17/h2-6H,17H2,1H3
InChIKeyNBQMRQOKILJNTD-UHFFFAOYSA-N
MW286.13 g/mol
LogP4.82
Rot. Bonds2

About 4,5-dichloro-2-(5-fluoro-2-methylphenoxy)aniline

4,5-dichloro-2-(5-fluoro-2-methylphenoxy)aniline (PubChem CID 102980220) has the molecular formula C13H10Cl2FNO and a molecular weight of 286.13 g/mol. Its IUPAC name is 4,5-dichloro-2-(5-fluoro-2-methylphenoxy)aniline.

Molecular Properties

Compound Name4,5-dichloro-2-(5-fluoro-2-methylphenoxy)aniline
PubChem CID102980220
Molecular FormulaC13H10Cl2FNO
Molecular Weight286.13 g/mol
Exact Mass285.01
IUPAC Name4,5-dichloro-2-(5-fluoro-2-methylphenoxy)aniline
SMILESCc1ccc(F)cc1Oc1cc(Cl)c(Cl)cc1N
InChIInChI=1S/C13H10Cl2FNO/c1-7-2-3-8(16)4-12(7)18-13-6-10(15)9(14)5-11(13)17/h2-6H,17H2,1H3
InChIKeyNBQMRQOKILJNTD-UHFFFAOYSA-N
XLogP4.82
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.13
LogP ≤ 54.82
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

5-bromo-2-(5-fluoro-2-methylphenoxy)aniline
CID 102980259
2-(5-fluoro-2-methylphenoxy)-5-methoxyaniline
CID 102980202
6-(5-fluoro-2-methylphenoxy)-2,3-dihydro-1,4-benzodioxin-7-amine
CID 102980224
4-(difluoromethoxy)-5-fluoro-2-(5-fluoro-2-methylphenoxy)aniline
CID 102980292
2-(5-chloro-2-methylphenoxy)-5-fluoro-4-methylaniline
CID 103591054
5-chloro-2-(2-chloro-4-fluorophenoxy)-4-fluoroaniline
CID 66077320
2-chloro-4-(4-fluorophenoxy)-5-methylaniline
CID 115555224
2-(chloromethyl)-4-fluoro-1-(5-fluoro-2-methylphenoxy)benzene
CID 102989965
methyl 4-amino-3-(5-fluoro-2-methylphenoxy)benzoate
CID 102982938
4-chloro-2-(2-chloro-5-fluorophenoxy)-3-methylaniline
CID 112740963
2-(4-bromo-2-chloro-5-fluorophenoxy)-4-fluoroaniline
CID 114270895
2-(4-chloro-3-methylphenoxy)-5-fluoroaniline
CID 26189668

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-(5-fluoro-2-methylphenoxy)aniline?
The IUPAC name of 4,5-dichloro-2-(5-fluoro-2-methylphenoxy)aniline (CID 102980220) is 4,5-dichloro-2-(5-fluoro-2-methylphenoxy)aniline.
What is the SMILES notation for 4,5-dichloro-2-(5-fluoro-2-methylphenoxy)aniline?
The canonical SMILES for 4,5-dichloro-2-(5-fluoro-2-methylphenoxy)aniline is Cc1ccc(F)cc1Oc1cc(Cl)c(Cl)cc1N.
What is the InChIKey of 4,5-dichloro-2-(5-fluoro-2-methylphenoxy)aniline?
The InChIKey is NBQMRQOKILJNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2FNO/c1-7-2-3-8(16)4-12(7)18-13-6-10(15)9(14)5-11(13)17/h2-6H,17H2,1H3.
What are the key properties of 4,5-dichloro-2-(5-fluoro-2-methylphenoxy)aniline?
4,5-dichloro-2-(5-fluoro-2-methylphenoxy)aniline has a molecular weight of 286.13 g/mol, XLogP of 4.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-(5-fluoro-2-methylphenoxy)aniline is sourced from PubChem (CID 102980220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).