2,6-difluoro-3-phenylaniline

C12H9F2N — CID 68725950

IUPAC2,6-difluoro-3-phenylaniline
SMILESNc1c(F)ccc(-c2ccccc2)c1F
InChIInChI=1S/C12H9F2N/c13-10-7-6-9(11(14)12(10)15)8-4-2-1-3-5-8/h1-7H,15H2
InChIKeyQXFRZUGWNCPFGC-UHFFFAOYSA-N
MW205.21 g/mol
LogP3.21
Rot. Bonds1

About 2,6-difluoro-3-phenylaniline

2,6-difluoro-3-phenylaniline (PubChem CID 68725950) has the molecular formula C12H9F2N and a molecular weight of 205.21 g/mol. Its IUPAC name is 2,6-difluoro-3-phenylaniline.

Molecular Properties

Compound Name2,6-difluoro-3-phenylaniline
PubChem CID68725950
Molecular FormulaC12H9F2N
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name2,6-difluoro-3-phenylaniline
SMILESNc1c(F)ccc(-c2ccccc2)c1F
InChIInChI=1S/C12H9F2N/c13-10-7-6-9(11(14)12(10)15)8-4-2-1-3-5-8/h1-7H,15H2
InChIKeyQXFRZUGWNCPFGC-UHFFFAOYSA-N
XLogP3.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,6-difluoro-3-pyridin-4-ylaniline
CID 165453925
3-(3-chlorophenyl)-2,6-difluoroaniline
CID 165455763
2,6-difluoro-3-(4-nitrophenyl)aniline
CID 165455095
3-bromo-2-fluoro-6-phenylaniline;ethane
CID 156801929
2,6-difluoro-3-(3-nitrophenyl)aniline
CID 165455760
2-fluoro-5-phenyl-7-oxabicyclo[4.1.0]hepta-1,3,5-triene
CID 137346061
1-fluoro-4-phenylnaphthalene
CID 46314926
1-fluoro-2-methyl-3,4-diphenylbenzene
CID 90266529
2-fluoro-6-methyl-3-phenylphenol
CID 66800848
2,3-difluoro-1-(2-fluoro-4-phenylphenyl)-4-phenylbenzene
CID 130387899
4-chloro-2-fluoro-1-phenylbenzene
CID 18364130
1-fluoro-4-(4-phenylphenyl)naphthalene
CID 165394983

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-phenylaniline?
The IUPAC name of 2,6-difluoro-3-phenylaniline (CID 68725950) is 2,6-difluoro-3-phenylaniline.
What is the SMILES notation for 2,6-difluoro-3-phenylaniline?
The canonical SMILES for 2,6-difluoro-3-phenylaniline is Nc1c(F)ccc(-c2ccccc2)c1F.
What is the InChIKey of 2,6-difluoro-3-phenylaniline?
The InChIKey is QXFRZUGWNCPFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2N/c13-10-7-6-9(11(14)12(10)15)8-4-2-1-3-5-8/h1-7H,15H2.
What are the key properties of 2,6-difluoro-3-phenylaniline?
2,6-difluoro-3-phenylaniline has a molecular weight of 205.21 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-phenylaniline is sourced from PubChem (CID 68725950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).