5-[(2,6-difluorophenyl)methoxy]-2,4-difluoroaniline

C13H9F4NO — CID 58022350

IUPAC5-[(2,6-difluorophenyl)methoxy]-2,4-difluoroaniline
SMILESNc1cc(OCc2c(F)cccc2F)c(F)cc1F
InChIInChI=1S/C13H9F4NO/c14-8-2-1-3-9(15)7(8)6-19-13-5-12(18)10(16)4-11(13)17/h1-5H,6,18H2
InChIKeyXGGYGJHNQRQRRV-UHFFFAOYSA-N
MW271.21 g/mol
LogP3.40
Rot. Bonds3

About 5-[(2,6-difluorophenyl)methoxy]-2,4-difluoroaniline

5-[(2,6-difluorophenyl)methoxy]-2,4-difluoroaniline (PubChem CID 58022350) has the molecular formula C13H9F4NO and a molecular weight of 271.21 g/mol. Its IUPAC name is 5-[(2,6-difluorophenyl)methoxy]-2,4-difluoroaniline.

Molecular Properties

Compound Name5-[(2,6-difluorophenyl)methoxy]-2,4-difluoroaniline
PubChem CID58022350
Molecular FormulaC13H9F4NO
Molecular Weight271.21 g/mol
Exact Mass271.06
IUPAC Name5-[(2,6-difluorophenyl)methoxy]-2,4-difluoroaniline
SMILESNc1cc(OCc2c(F)cccc2F)c(F)cc1F
InChIInChI=1S/C13H9F4NO/c14-8-2-1-3-9(15)7(8)6-19-13-5-12(18)10(16)4-11(13)17/h1-5H,6,18H2
InChIKeyXGGYGJHNQRQRRV-UHFFFAOYSA-N
XLogP3.40
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.21
LogP ≤ 53.40
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

4-[(2,6-difluorophenyl)methoxy]-3-fluoroaniline
CID 114929926
5-bromo-2-[(2,6-difluorophenyl)methoxy]-4-fluoroaniline
CID 103482967
5-[(2,6-difluorophenyl)methoxy]quinolin-8-amine
CID 114929956
3-[(2,6-difluorophenyl)methoxy]-5-iodopyridin-2-amine
CID 126639458
2-chloro-5-[(2-fluoro-6-methoxyphenyl)methoxy]-4-methoxyaniline
CID 59309657
4-amino-2-[(2,6-difluorophenyl)methoxy]benzoic acid
CID 106954932
3-fluoro-2-[(2,3,5-trimethylphenoxy)methyl]aniline
CID 63331444
1,3-difluoro-2-[(2-iodophenoxy)methyl]benzene
CID 114930275
2-[(2-tert-butylphenoxy)methyl]-3-fluoroaniline
CID 63331805
3-bromo-2-[(4-bromo-2-fluorophenoxy)methyl]aniline
CID 43349804
2,5-difluoro-4-(pyridin-4-ylmethoxy)aniline
CID 63598643
2-[(3,4-difluorophenoxy)methyl]-3-fluoroaniline
CID 63331973

Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-difluorophenyl)methoxy]-2,4-difluoroaniline?
The IUPAC name of 5-[(2,6-difluorophenyl)methoxy]-2,4-difluoroaniline (CID 58022350) is 5-[(2,6-difluorophenyl)methoxy]-2,4-difluoroaniline.
What is the SMILES notation for 5-[(2,6-difluorophenyl)methoxy]-2,4-difluoroaniline?
The canonical SMILES for 5-[(2,6-difluorophenyl)methoxy]-2,4-difluoroaniline is Nc1cc(OCc2c(F)cccc2F)c(F)cc1F.
What is the InChIKey of 5-[(2,6-difluorophenyl)methoxy]-2,4-difluoroaniline?
The InChIKey is XGGYGJHNQRQRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F4NO/c14-8-2-1-3-9(15)7(8)6-19-13-5-12(18)10(16)4-11(13)17/h1-5H,6,18H2.
What are the key properties of 5-[(2,6-difluorophenyl)methoxy]-2,4-difluoroaniline?
5-[(2,6-difluorophenyl)methoxy]-2,4-difluoroaniline has a molecular weight of 271.21 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,6-difluorophenyl)methoxy]-2,4-difluoroaniline is sourced from PubChem (CID 58022350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).