2-[(2,4-difluorophenyl)methoxy]-5-fluoroaniline

C13H10F3NO — CID 62368347

IUPAC2-[(2,4-difluorophenyl)methoxy]-5-fluoroaniline
SMILESNc1cc(F)ccc1OCc1ccc(F)cc1F
InChIInChI=1S/C13H10F3NO/c14-9-2-1-8(11(16)5-9)7-18-13-4-3-10(15)6-12(13)17/h1-6H,7,17H2
InChIKeyVLBRLBMZCOBTMW-UHFFFAOYSA-N
MW253.22 g/mol
LogP3.27
Rot. Bonds3

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

2-[(2,4-difluorophenyl)methoxy]-5-fluoroaniline (PubChem CID 62368347) has the molecular formula C13H10F3NO and a molecular weight of 253.22 g/mol. Its IUPAC name is 2-[(2,4-difluorophenyl)methoxy]-5-fluoroaniline.

Molecular Properties

Compound Name2-[(2,4-difluorophenyl)methoxy]-5-fluoroaniline
PubChem CID62368347
Molecular FormulaC13H10F3NO
Molecular Weight253.22 g/mol
Exact Mass253.07
IUPAC Name2-[(2,4-difluorophenyl)methoxy]-5-fluoroaniline
SMILESNc1cc(F)ccc1OCc1ccc(F)cc1F
InChIInChI=1S/C13H10F3NO/c14-9-2-1-8(11(16)5-9)7-18-13-4-3-10(15)6-12(13)17/h1-6H,7,17H2
InChIKeyVLBRLBMZCOBTMW-UHFFFAOYSA-N
XLogP3.27
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.22
LogP ≤ 53.27
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

3-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-amine
CID 62197636
2-[(4-ethylphenyl)methoxy]-5-fluoroaniline
CID 62368174
2,4-difluoro-1-[(4-fluorophenoxy)methyl]benzene
CID 64765828
4-[(2-fluorophenyl)methoxy]benzene-1,3-diamine
CID 142729124
5-bromo-4-fluoro-2-[(4-fluoro-2-methylphenyl)methoxy]aniline
CID 103483039
2-[(5-bromo-2-fluorophenoxy)methyl]-5-fluoroaniline
CID 114671796
5-fluoro-2-(quinolin-8-ylmethoxy)aniline
CID 62369996
2-[(2-bromo-5-methoxyphenyl)methoxy]-5-fluoroaniline
CID 65322510
1-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]propan-2-amine
CID 62196739
1-[5-bromo-2-[(2,4-difluorophenyl)methoxy]phenyl]propan-2-amine
CID 62196738
(1S)-1-[4-[(2,4-difluorophenyl)methoxy]-3-methoxyphenyl]ethanamine
CID 78930423
2-[(2-chloro-5-fluorophenyl)methoxy]-5-methylaniline
CID 102615044

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-difluorophenyl)methoxy]-5-fluoroaniline?
The IUPAC name of 2-[(2,4-difluorophenyl)methoxy]-5-fluoroaniline (CID 62368347) is 2-[(2,4-difluorophenyl)methoxy]-5-fluoroaniline.
What is the SMILES notation for 2-[(2,4-difluorophenyl)methoxy]-5-fluoroaniline?
The canonical SMILES for 2-[(2,4-difluorophenyl)methoxy]-5-fluoroaniline is Nc1cc(F)ccc1OCc1ccc(F)cc1F.
What is the InChIKey of 2-[(2,4-difluorophenyl)methoxy]-5-fluoroaniline?
The InChIKey is VLBRLBMZCOBTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO/c14-9-2-1-8(11(16)5-9)7-18-13-4-3-10(15)6-12(13)17/h1-6H,7,17H2.
What are the key properties of 2-[(2,4-difluorophenyl)methoxy]-5-fluoroaniline?
2-[(2,4-difluorophenyl)methoxy]-5-fluoroaniline has a molecular weight of 253.22 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-difluorophenyl)methoxy]-5-fluoroaniline is sourced from PubChem (CID 62368347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).