2-(3,5-difluorophenoxy)-3-fluoroaniline

C12H8F3NO — CID 112740565

IUPAC2-(3,5-difluorophenoxy)-3-fluoroaniline
SMILESNc1cccc(F)c1Oc1cc(F)cc(F)c1
InChIInChI=1S/C12H8F3NO/c13-7-4-8(14)6-9(5-7)17-12-10(15)2-1-3-11(12)16/h1-6H,16H2
InChIKeyHMCZPMHBMCKCCW-UHFFFAOYSA-N
MW239.20 g/mol
LogP3.48
Rot. Bonds2

About 2-(3,5-difluorophenoxy)-3-fluoroaniline

2-(3,5-difluorophenoxy)-3-fluoroaniline (PubChem CID 112740565) has the molecular formula C12H8F3NO and a molecular weight of 239.20 g/mol. Its IUPAC name is 2-(3,5-difluorophenoxy)-3-fluoroaniline.

Molecular Properties

Compound Name2-(3,5-difluorophenoxy)-3-fluoroaniline
PubChem CID112740565
Molecular FormulaC12H8F3NO
Molecular Weight239.20 g/mol
Exact Mass239.06
IUPAC Name2-(3,5-difluorophenoxy)-3-fluoroaniline
SMILESNc1cccc(F)c1Oc1cc(F)cc(F)c1
InChIInChI=1S/C12H8F3NO/c13-7-4-8(14)6-9(5-7)17-12-10(15)2-1-3-11(12)16/h1-6H,16H2
InChIKeyHMCZPMHBMCKCCW-UHFFFAOYSA-N
XLogP3.48
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.20
LogP ≤ 53.48
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-fluoro-2-pyrimidin-2-yloxyaniline
CID 104832174
2-(3-fluorophenoxy)-3-methylaniline
CID 115550847
2-(2-amino-6-fluorophenoxy)-5-fluorobenzonitrile
CID 113458317
3,5-difluoro-4-(3-fluorophenoxy)aniline
CID 54902903
2-[(3,5-dibromo-2-pyridinyl)oxy]-3-fluoroaniline
CID 113458300
2-[(5,6-dimethyl-1,2,4-triazin-3-yl)oxy]-3-fluoroaniline
CID 114786973
2-[(2,5-difluorophenyl)methoxy]-3-fluoroaniline
CID 104831279
1,3-difluoro-5-phenoxybenzene
CID 13455928
2-[2-bromo-4-(trifluoromethyl)phenoxy]-3-fluoroaniline
CID 104832170
[3-fluoro-5-(2-fluoro-6-nitrophenoxy)phenyl]methanamine
CID 106531346
3-fluoro-2-(1,3,5-trimethylpyrazol-4-yl)oxyaniline
CID 112740566
3-fluoro-2-isoquinolin-1-yloxyaniline
CID 104832181

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenoxy)-3-fluoroaniline?
The IUPAC name of 2-(3,5-difluorophenoxy)-3-fluoroaniline (CID 112740565) is 2-(3,5-difluorophenoxy)-3-fluoroaniline.
What is the SMILES notation for 2-(3,5-difluorophenoxy)-3-fluoroaniline?
The canonical SMILES for 2-(3,5-difluorophenoxy)-3-fluoroaniline is Nc1cccc(F)c1Oc1cc(F)cc(F)c1.
What is the InChIKey of 2-(3,5-difluorophenoxy)-3-fluoroaniline?
The InChIKey is HMCZPMHBMCKCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3NO/c13-7-4-8(14)6-9(5-7)17-12-10(15)2-1-3-11(12)16/h1-6H,16H2.
What are the key properties of 2-(3,5-difluorophenoxy)-3-fluoroaniline?
2-(3,5-difluorophenoxy)-3-fluoroaniline has a molecular weight of 239.20 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenoxy)-3-fluoroaniline is sourced from PubChem (CID 112740565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).