2-(3-chloro-4-fluorophenoxy)-4-(difluoromethoxy)-5-fluoroaniline

C13H8ClF4NO2 — CID 63879848

IUPAC2-(3-chloro-4-fluorophenoxy)-4-(difluoromethoxy)-5-fluoroaniline
SMILESNc1cc(F)c(OC(F)F)cc1Oc1ccc(F)c(Cl)c1
InChIInChI=1S/C13H8ClF4NO2/c14-7-3-6(1-2-8(7)15)20-12-5-11(21-13(17)18)9(16)4-10(12)19/h1-5,13H,19H2
InChIKeyOCPASZZNIHMYLD-UHFFFAOYSA-N
MW321.66 g/mol
LogP4.59
Rot. Bonds4

About 2-(3-chloro-4-fluorophenoxy)-4-(difluoromethoxy)-5-fluoroaniline

2-(3-chloro-4-fluorophenoxy)-4-(difluoromethoxy)-5-fluoroaniline (PubChem CID 63879848) has the molecular formula C13H8ClF4NO2 and a molecular weight of 321.66 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenoxy)-4-(difluoromethoxy)-5-fluoroaniline.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenoxy)-4-(difluoromethoxy)-5-fluoroaniline
PubChem CID63879848
Molecular FormulaC13H8ClF4NO2
Molecular Weight321.66 g/mol
Exact Mass321.02
IUPAC Name2-(3-chloro-4-fluorophenoxy)-4-(difluoromethoxy)-5-fluoroaniline
SMILESNc1cc(F)c(OC(F)F)cc1Oc1ccc(F)c(Cl)c1
InChIInChI=1S/C13H8ClF4NO2/c14-7-3-6(1-2-8(7)15)20-12-5-11(21-13(17)18)9(16)4-10(12)19/h1-5,13H,19H2
InChIKeyOCPASZZNIHMYLD-UHFFFAOYSA-N
XLogP4.59
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.66
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-chloro-4-fluorophenoxy)-5-fluoro-4-propan-2-yloxyaniline
CID 63878623
2-(3-bromo-4-fluorophenoxy)-4-(difluoromethoxy)-5-fluoroaniline
CID 83233305
4-(difluoromethoxy)-5-fluoro-2-(3-methylphenoxy)aniline
CID 63593528
2-chloro-4-(3-chloro-4-fluorophenoxy)-1-fluorobenzene
CID 69010329
2-(3-chloro-4-fluorophenoxy)-5-(trifluoromethyl)aniline
CID 26189386
2-(4-bromo-3-fluorophenoxy)-4-chloro-5-fluoroaniline
CID 114089163
4-(difluoromethoxy)-5-fluoro-2-(5-fluoro-2-methylphenoxy)aniline
CID 102980292
2-(3,5-dichlorophenoxy)-5-fluoro-4-methoxyaniline
CID 63598612
4-(3-chloro-4-fluorophenoxy)pyridin-3-amine
CID 63878452
4-chloro-5-fluoro-2-(3-fluorophenoxy)aniline
CID 114089137
2-(4-bromophenoxy)-5-fluoro-4-propan-2-yloxyaniline
CID 63593200
5-(3-chloro-4-fluorophenoxy)-2-methyl-1,3-benzothiazol-6-amine
CID 63878978

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenoxy)-4-(difluoromethoxy)-5-fluoroaniline?
The IUPAC name of 2-(3-chloro-4-fluorophenoxy)-4-(difluoromethoxy)-5-fluoroaniline (CID 63879848) is 2-(3-chloro-4-fluorophenoxy)-4-(difluoromethoxy)-5-fluoroaniline.
What is the SMILES notation for 2-(3-chloro-4-fluorophenoxy)-4-(difluoromethoxy)-5-fluoroaniline?
The canonical SMILES for 2-(3-chloro-4-fluorophenoxy)-4-(difluoromethoxy)-5-fluoroaniline is Nc1cc(F)c(OC(F)F)cc1Oc1ccc(F)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-fluorophenoxy)-4-(difluoromethoxy)-5-fluoroaniline?
The InChIKey is OCPASZZNIHMYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF4NO2/c14-7-3-6(1-2-8(7)15)20-12-5-11(21-13(17)18)9(16)4-10(12)19/h1-5,13H,19H2.
What are the key properties of 2-(3-chloro-4-fluorophenoxy)-4-(difluoromethoxy)-5-fluoroaniline?
2-(3-chloro-4-fluorophenoxy)-4-(difluoromethoxy)-5-fluoroaniline has a molecular weight of 321.66 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenoxy)-4-(difluoromethoxy)-5-fluoroaniline is sourced from PubChem (CID 63879848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).