3-fluoro-2-(2-fluoro-3-nitrophenyl)aniline

C12H8F2N2O2 — CID 175739955

IUPAC3-fluoro-2-(2-fluoro-3-nitrophenyl)aniline
SMILESNc1cccc(F)c1-c1cccc([N+](=O)[O-])c1F
InChIInChI=1S/C12H8F2N2O2/c13-8-4-2-5-9(15)11(8)7-3-1-6-10(12(7)14)16(17)18/h1-6H,15H2
InChIKeyYWVZCLZIIRLHFI-UHFFFAOYSA-N
MW250.20 g/mol
LogP3.12
Rot. Bonds2

About 3-fluoro-2-(2-fluoro-3-nitrophenyl)aniline

3-fluoro-2-(2-fluoro-3-nitrophenyl)aniline (PubChem CID 175739955) has the molecular formula C12H8F2N2O2 and a molecular weight of 250.20 g/mol. Its IUPAC name is 3-fluoro-2-(2-fluoro-3-nitrophenyl)aniline.

Molecular Properties

Compound Name3-fluoro-2-(2-fluoro-3-nitrophenyl)aniline
PubChem CID175739955
Molecular FormulaC12H8F2N2O2
Molecular Weight250.20 g/mol
Exact Mass250.06
IUPAC Name3-fluoro-2-(2-fluoro-3-nitrophenyl)aniline
SMILESNc1cccc(F)c1-c1cccc([N+](=O)[O-])c1F
InChIInChI=1S/C12H8F2N2O2/c13-8-4-2-5-9(15)11(8)7-3-1-6-10(12(7)14)16(17)18/h1-6H,15H2
InChIKeyYWVZCLZIIRLHFI-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

1,2,3,4,5-pentafluoro-6-(2-fluoro-3-nitrophenyl)benzene
CID 134617355
1-(2,6-dichlorophenyl)-2-fluoro-3-nitrobenzene
CID 119007627
2-fluoro-6-nitroaniline;hydrochloride
CID 169225840
3-amino-2-[3-nitro-2-(trifluoromethyl)phenyl]phenol
CID 22173866
4-(2-fluoro-3-nitrophenyl)-2,5-dimethylpyridazin-3-one
CID 175507495
1,2-difluoro-3-(2-fluorophenyl)-4-nitrobenzene
CID 46314527
8-(2-fluoro-6-nitrophenyl)naphthalen-1-ol
CID 162462407
1,2,4-trichloro-5-(2-fluoro-3-nitrophenyl)benzene
CID 134620271
2-(4-nitrothiophen-3-yl)benzene-1,3-diamine
CID 22644261
2-nitroaniline;dihydrochloride
CID 69408891
2-nitroaniline;sulfane
CID 175331446
2-chloro-1-(18F)fluoro-3-nitrobenzene
CID 151209633

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(2-fluoro-3-nitrophenyl)aniline?
The IUPAC name of 3-fluoro-2-(2-fluoro-3-nitrophenyl)aniline (CID 175739955) is 3-fluoro-2-(2-fluoro-3-nitrophenyl)aniline.
What is the SMILES notation for 3-fluoro-2-(2-fluoro-3-nitrophenyl)aniline?
The canonical SMILES for 3-fluoro-2-(2-fluoro-3-nitrophenyl)aniline is Nc1cccc(F)c1-c1cccc([N+](=O)[O-])c1F.
What is the InChIKey of 3-fluoro-2-(2-fluoro-3-nitrophenyl)aniline?
The InChIKey is YWVZCLZIIRLHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2N2O2/c13-8-4-2-5-9(15)11(8)7-3-1-6-10(12(7)14)16(17)18/h1-6H,15H2.
What are the key properties of 3-fluoro-2-(2-fluoro-3-nitrophenyl)aniline?
3-fluoro-2-(2-fluoro-3-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 3-fluoro-2-(2-fluoro-3-nitrophenyl)aniline is sourced from PubChem (CID 175739955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).