2-fluoro-6-(3-fluoro-2-methylphenyl)aniline

C13H11F2N — CID 107602875

IUPAC2-fluoro-6-(3-fluoro-2-methylphenyl)aniline
SMILESCc1c(F)cccc1-c1cccc(F)c1N
InChIInChI=1S/C13H11F2N/c1-8-9(4-2-6-11(8)14)10-5-3-7-12(15)13(10)16/h2-7H,16H2,1H3
InChIKeyVDISOCNPLNTJKT-UHFFFAOYSA-N
MW219.23 g/mol
LogP3.52
Rot. Bonds1

About 2-fluoro-6-(3-fluoro-2-methylphenyl)aniline

2-fluoro-6-(3-fluoro-2-methylphenyl)aniline (PubChem CID 107602875) has the molecular formula C13H11F2N and a molecular weight of 219.23 g/mol. Its IUPAC name is 2-fluoro-6-(3-fluoro-2-methylphenyl)aniline.

Molecular Properties

Compound Name2-fluoro-6-(3-fluoro-2-methylphenyl)aniline
PubChem CID107602875
Molecular FormulaC13H11F2N
Molecular Weight219.23 g/mol
Exact Mass219.09
IUPAC Name2-fluoro-6-(3-fluoro-2-methylphenyl)aniline
SMILESCc1c(F)cccc1-c1cccc(F)c1N
InChIInChI=1S/C13H11F2N/c1-8-9(4-2-6-11(8)14)10-5-3-7-12(15)13(10)16/h2-7H,16H2,1H3
InChIKeyVDISOCNPLNTJKT-UHFFFAOYSA-N
XLogP3.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.23
LogP ≤ 53.52
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

4-(3-fluoro-2-methylphenyl)-3-methylaniline
CID 115502785
2-(3-fluoro-2-methylphenyl)-4-methylaniline
CID 115502782
1-fluoro-3-(4-fluorophenyl)-2-methylbenzene
CID 46313945
2-(2,6-dimethoxyphenyl)-6-fluoroaniline
CID 107602899
1-fluoro-2-methyl-3-[2-(trifluoromethyl)phenyl]benzene
CID 134626767
[4-(3-fluoro-2-methylphenyl)-3-methylphenyl]methanamine
CID 115502881
2-(4-chlorophenyl)-6-fluoroaniline
CID 107602778
2-fluoro-6-(3-methyl-1-propan-2-ylpyrazol-4-yl)aniline
CID 107602961
2-(2-chlorothiophen-3-yl)-6-fluoroaniline
CID 130640585
6-amino-3-(3-fluoro-2-methylphenyl)pyridine-2-carboxylic acid
CID 53229220
2-fluoro-6-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline
CID 114352034
3-(3-amino-2-methylphenyl)-2-methylaniline
CID 15336123

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(3-fluoro-2-methylphenyl)aniline?
The IUPAC name of 2-fluoro-6-(3-fluoro-2-methylphenyl)aniline (CID 107602875) is 2-fluoro-6-(3-fluoro-2-methylphenyl)aniline.
What is the SMILES notation for 2-fluoro-6-(3-fluoro-2-methylphenyl)aniline?
The canonical SMILES for 2-fluoro-6-(3-fluoro-2-methylphenyl)aniline is Cc1c(F)cccc1-c1cccc(F)c1N.
What is the InChIKey of 2-fluoro-6-(3-fluoro-2-methylphenyl)aniline?
The InChIKey is VDISOCNPLNTJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N/c1-8-9(4-2-6-11(8)14)10-5-3-7-12(15)13(10)16/h2-7H,16H2,1H3.
What are the key properties of 2-fluoro-6-(3-fluoro-2-methylphenyl)aniline?
2-fluoro-6-(3-fluoro-2-methylphenyl)aniline has a molecular weight of 219.23 g/mol, XLogP of 3.52, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(3-fluoro-2-methylphenyl)aniline is sourced from PubChem (CID 107602875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).