2,6-difluoro-3-(4-nitrophenyl)aniline

C12H8F2N2O2 — CID 165455095

IUPAC2,6-difluoro-3-(4-nitrophenyl)aniline
SMILESNc1c(F)ccc(-c2ccc([N+](=O)[O-])cc2)c1F
InChIInChI=1S/C12H8F2N2O2/c13-10-6-5-9(11(14)12(10)15)7-1-3-8(4-2-7)16(17)18/h1-6H,15H2
InChIKeyWVLNANBZZIUXLE-UHFFFAOYSA-N
MW250.20 g/mol
LogP3.12
Rot. Bonds2

About 2,6-difluoro-3-(4-nitrophenyl)aniline

2,6-difluoro-3-(4-nitrophenyl)aniline (PubChem CID 165455095) has the molecular formula C12H8F2N2O2 and a molecular weight of 250.20 g/mol. Its IUPAC name is 2,6-difluoro-3-(4-nitrophenyl)aniline.

Molecular Properties

Compound Name2,6-difluoro-3-(4-nitrophenyl)aniline
PubChem CID165455095
Molecular FormulaC12H8F2N2O2
Molecular Weight250.20 g/mol
Exact Mass250.06
IUPAC Name2,6-difluoro-3-(4-nitrophenyl)aniline
SMILESNc1c(F)ccc(-c2ccc([N+](=O)[O-])cc2)c1F
InChIInChI=1S/C12H8F2N2O2/c13-10-6-5-9(11(14)12(10)15)7-1-3-8(4-2-7)16(17)18/h1-6H,15H2
InChIKeyWVLNANBZZIUXLE-UHFFFAOYSA-N
XLogP3.12
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.20
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,6-difluoro-3-(3-nitrophenyl)aniline
CID 165455760
6-(4-aminophenyl)-2,3-bis(4-nitrophenyl)aniline
CID 174929403
2,6-difluoro-3-(4-nitrophenyl)pyridine
CID 101450711
2-(4-fluorophenyl)-4-nitroaniline
CID 139699338
1-bromo-2,4-difluoro-3-(4-nitrophenyl)benzene
CID 102529934
1-(4-chlorophenyl)-2-methyl-4-nitrobenzene
CID 57438279
1-(4-nitrophenyl)-2-[2-[2-[2-(4-nitrophenyl)phenyl]phenyl]phenyl]benzene
CID 102592061
1-amino-2-(4-nitrophenyl)anthracene-9,10-dione
CID 174815967
1-chloro-4-nitrobenzene;ethane
CID 90737802
methanamine;4-nitroaniline
CID 22708932
3-fluoro-5-methoxy-4-(4-nitrophenyl)aniline
CID 178094722
CID 89217409
CID 89217409

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-(4-nitrophenyl)aniline?
The IUPAC name of 2,6-difluoro-3-(4-nitrophenyl)aniline (CID 165455095) is 2,6-difluoro-3-(4-nitrophenyl)aniline.
What is the SMILES notation for 2,6-difluoro-3-(4-nitrophenyl)aniline?
The canonical SMILES for 2,6-difluoro-3-(4-nitrophenyl)aniline is Nc1c(F)ccc(-c2ccc([N+](=O)[O-])cc2)c1F.
What is the InChIKey of 2,6-difluoro-3-(4-nitrophenyl)aniline?
The InChIKey is WVLNANBZZIUXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2N2O2/c13-10-6-5-9(11(14)12(10)15)7-1-3-8(4-2-7)16(17)18/h1-6H,15H2.
What are the key properties of 2,6-difluoro-3-(4-nitrophenyl)aniline?
2,6-difluoro-3-(4-nitrophenyl)aniline has a molecular weight of 250.20 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-(4-nitrophenyl)aniline is sourced from PubChem (CID 165455095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).