2-(3-chloro-4-fluorophenoxy)-5-fluoro-4-propan-2-yloxyaniline

C15H14ClF2NO2 — CID 63878623

IUPAC2-(3-chloro-4-fluorophenoxy)-5-fluoro-4-propan-2-yloxyaniline
SMILESCC(C)Oc1cc(Oc2ccc(F)c(Cl)c2)c(N)cc1F
InChIInChI=1S/C15H14ClF2NO2/c1-8(2)20-14-7-15(13(19)6-12(14)18)21-9-3-4-11(17)10(16)5-9/h3-8H,19H2,1-2H3
InChIKeyGHMCKHWHVWIZEN-UHFFFAOYSA-N
MW313.73 g/mol
LogP4.78
Rot. Bonds4

About 2-(3-chloro-4-fluorophenoxy)-5-fluoro-4-propan-2-yloxyaniline

2-(3-chloro-4-fluorophenoxy)-5-fluoro-4-propan-2-yloxyaniline (PubChem CID 63878623) has the molecular formula C15H14ClF2NO2 and a molecular weight of 313.73 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenoxy)-5-fluoro-4-propan-2-yloxyaniline.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenoxy)-5-fluoro-4-propan-2-yloxyaniline
PubChem CID63878623
Molecular FormulaC15H14ClF2NO2
Molecular Weight313.73 g/mol
Exact Mass313.07
IUPAC Name2-(3-chloro-4-fluorophenoxy)-5-fluoro-4-propan-2-yloxyaniline
SMILESCC(C)Oc1cc(Oc2ccc(F)c(Cl)c2)c(N)cc1F
InChIInChI=1S/C15H14ClF2NO2/c1-8(2)20-14-7-15(13(19)6-12(14)18)21-9-3-4-11(17)10(16)5-9/h3-8H,19H2,1-2H3
InChIKeyGHMCKHWHVWIZEN-UHFFFAOYSA-N
XLogP4.78
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.73
LogP ≤ 54.78
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)-4-(difluoromethoxy)-5-fluoroaniline
CID 63879848
2-(4-bromophenoxy)-5-fluoro-4-propan-2-yloxyaniline
CID 63593200
2-(3,5-difluorophenoxy)-5-fluoro-4-propan-2-yloxyaniline
CID 63594228
2-(2,4-difluorophenoxy)-5-fluoro-4-propan-2-yloxyaniline
CID 63593349
2-(3-bromo-4-fluorophenoxy)-4-(difluoromethoxy)-5-fluoroaniline
CID 83233305
2-chloro-4-(3-chloro-4-fluorophenoxy)-1-fluorobenzene
CID 69010329
4-(3,4-dichlorophenoxy)-2-propan-2-yloxyaniline
CID 83002626
(1R)-1-[2-(3-chloro-4-fluorophenoxy)-6-fluorophenyl]ethanamine
CID 63879513
2-(3-chloro-4-fluorophenoxy)-5-(trifluoromethyl)aniline
CID 26189386
2-(2-bromo-4-methylphenoxy)-5-fluoro-4-propan-2-yloxyaniline
CID 63593881
2-(4-bromo-3-fluorophenoxy)-4-chloro-5-fluoroaniline
CID 114089163
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)-5-fluoro-4-propan-2-yloxyaniline?
The IUPAC name of 2-(3-chloro-4-fluorophenoxy)-5-fluoro-4-propan-2-yloxyaniline (CID 63878623) is 2-(3-chloro-4-fluorophenoxy)-5-fluoro-4-propan-2-yloxyaniline.
What is the SMILES notation for 2-(3-chloro-4-fluorophenoxy)-5-fluoro-4-propan-2-yloxyaniline?
The canonical SMILES for 2-(3-chloro-4-fluorophenoxy)-5-fluoro-4-propan-2-yloxyaniline is CC(C)Oc1cc(Oc2ccc(F)c(Cl)c2)c(N)cc1F.
What is the InChIKey of 2-(3-chloro-4-fluorophenoxy)-5-fluoro-4-propan-2-yloxyaniline?
The InChIKey is GHMCKHWHVWIZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2NO2/c1-8(2)20-14-7-15(13(19)6-12(14)18)21-9-3-4-11(17)10(16)5-9/h3-8H,19H2,1-2H3.
What are the key properties of 2-(3-chloro-4-fluorophenoxy)-5-fluoro-4-propan-2-yloxyaniline?
2-(3-chloro-4-fluorophenoxy)-5-fluoro-4-propan-2-yloxyaniline has a molecular weight of 313.73 g/mol, XLogP of 4.78, 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)-5-fluoro-4-propan-2-yloxyaniline is sourced from PubChem (CID 63878623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).