5-[2-[2-(difluoromethoxy)ethoxy]ethoxy]-2,4-difluoroaniline

C11H13F4NO3 — CID 15767482

IUPAC5-[2-[2-(difluoromethoxy)ethoxy]ethoxy]-2,4-difluoroaniline
SMILESNc1cc(OCCOCCOC(F)F)c(F)cc1F
InChIInChI=1S/C11H13F4NO3/c12-7-5-8(13)10(6-9(7)16)18-3-1-17-2-4-19-11(14)15/h5-6,11H,1-4,16H2
InChIKeyBZLOMVJJRSIQLB-UHFFFAOYSA-N
MW283.22 g/mol
LogP2.18
Rot. Bonds8

About 5-[2-[2-(difluoromethoxy)ethoxy]ethoxy]-2,4-difluoroaniline

5-[2-[2-(difluoromethoxy)ethoxy]ethoxy]-2,4-difluoroaniline (PubChem CID 15767482) has the molecular formula C11H13F4NO3 and a molecular weight of 283.22 g/mol. Its IUPAC name is 5-[2-[2-(difluoromethoxy)ethoxy]ethoxy]-2,4-difluoroaniline.

Molecular Properties

Compound Name5-[2-[2-(difluoromethoxy)ethoxy]ethoxy]-2,4-difluoroaniline
PubChem CID15767482
Molecular FormulaC11H13F4NO3
Molecular Weight283.22 g/mol
Exact Mass283.08
IUPAC Name5-[2-[2-(difluoromethoxy)ethoxy]ethoxy]-2,4-difluoroaniline
SMILESNc1cc(OCCOCCOC(F)F)c(F)cc1F
InChIInChI=1S/C11H13F4NO3/c12-7-5-8(13)10(6-9(7)16)18-3-1-17-2-4-19-11(14)15/h5-6,11H,1-4,16H2
InChIKeyBZLOMVJJRSIQLB-UHFFFAOYSA-N
XLogP2.18
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.22
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-butoxy-5-fluorobenzene-1,2-diamine
CID 170437526
4-(4-amino-2,5-difluorophenoxy)butan-1-ol
CID 63599718
5-[(2,6-difluorophenyl)methoxy]-2,4-difluoroaniline
CID 58022350
5-(4-amino-2,5-difluorophenoxy)pentan-1-ol
CID 63597424
5-[(E)-but-2-enoxy]-2,4-difluoroaniline
CID 131235553
2-[2-[4,5-diamino-2-[2-(2-hydroxyethoxy)ethoxy]phenoxy]ethoxy]ethanol
CID 163651325
3-(4-amino-2,5-difluorophenoxy)propanoic acid
CID 63947858
5-fluoro-2-[2-(3-methoxypropoxy)ethoxy]-4-propoxyaniline
CID 103176795
2,5-difluoro-4-(3-phenoxypropoxy)aniline
CID 63599001
(1R)-1-[3-fluoro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanamine
CID 104561031
2-(2-ethylhexoxy)-5-fluoro-4-propoxyaniline
CID 63594054
4-(2-tert-butylsulfanylethoxy)-2,5-difluoroaniline
CID 114271242

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(difluoromethoxy)ethoxy]ethoxy]-2,4-difluoroaniline?
The IUPAC name of 5-[2-[2-(difluoromethoxy)ethoxy]ethoxy]-2,4-difluoroaniline (CID 15767482) is 5-[2-[2-(difluoromethoxy)ethoxy]ethoxy]-2,4-difluoroaniline.
What is the SMILES notation for 5-[2-[2-(difluoromethoxy)ethoxy]ethoxy]-2,4-difluoroaniline?
The canonical SMILES for 5-[2-[2-(difluoromethoxy)ethoxy]ethoxy]-2,4-difluoroaniline is Nc1cc(OCCOCCOC(F)F)c(F)cc1F.
What is the InChIKey of 5-[2-[2-(difluoromethoxy)ethoxy]ethoxy]-2,4-difluoroaniline?
The InChIKey is BZLOMVJJRSIQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F4NO3/c12-7-5-8(13)10(6-9(7)16)18-3-1-17-2-4-19-11(14)15/h5-6,11H,1-4,16H2.
What are the key properties of 5-[2-[2-(difluoromethoxy)ethoxy]ethoxy]-2,4-difluoroaniline?
5-[2-[2-(difluoromethoxy)ethoxy]ethoxy]-2,4-difluoroaniline has a molecular weight of 283.22 g/mol, XLogP of 2.18, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(difluoromethoxy)ethoxy]ethoxy]-2,4-difluoroaniline is sourced from PubChem (CID 15767482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).