5-fluoro-2-(4-fluoro-2,6-dimethylphenyl)aniline

C14H13F2N — CID 107627301

IUPAC5-fluoro-2-(4-fluoro-2,6-dimethylphenyl)aniline
SMILESCc1cc(F)cc(C)c1-c1ccc(F)cc1N
InChIInChI=1S/C14H13F2N/c1-8-5-11(16)6-9(2)14(8)12-4-3-10(15)7-13(12)17/h3-7H,17H2,1-2H3
InChIKeyMHBTVMLFFGJYKO-UHFFFAOYSA-N
MW233.26 g/mol
LogP3.83
Rot. Bonds1

About 5-fluoro-2-(4-fluoro-2,6-dimethylphenyl)aniline

5-fluoro-2-(4-fluoro-2,6-dimethylphenyl)aniline (PubChem CID 107627301) has the molecular formula C14H13F2N and a molecular weight of 233.26 g/mol. Its IUPAC name is 5-fluoro-2-(4-fluoro-2,6-dimethylphenyl)aniline.

Molecular Properties

Compound Name5-fluoro-2-(4-fluoro-2,6-dimethylphenyl)aniline
PubChem CID107627301
Molecular FormulaC14H13F2N
Molecular Weight233.26 g/mol
Exact Mass233.10
IUPAC Name5-fluoro-2-(4-fluoro-2,6-dimethylphenyl)aniline
SMILESCc1cc(F)cc(C)c1-c1ccc(F)cc1N
InChIInChI=1S/C14H13F2N/c1-8-5-11(16)6-9(2)14(8)12-4-3-10(15)7-13(12)17/h3-7H,17H2,1-2H3
InChIKeyMHBTVMLFFGJYKO-UHFFFAOYSA-N
XLogP3.83
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 53.83
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

5-fluoro-2-(4-fluorophenyl)aniline
CID 46312178
2-(1-ethyl-3,5-dimethylpyrazol-4-yl)-5-fluoroaniline
CID 107627143
5-chloro-2-(5-fluoro-2-methylphenyl)aniline
CID 81274733
2-(5-fluoro-2-methylphenyl)-1,3,5-trimethylbenzene
CID 91665782
5-fluoro-2-(5-methyl-3-pyridinyl)aniline
CID 107626757
5-chloro-2-(2,6-difluoro-3-methylphenyl)aniline
CID 82821994
2-(4-chloronaphthalen-1-yl)-5-fluoroaniline
CID 107627228
1-chloro-2-(4-fluoro-2-methylphenyl)-3-methylbenzene
CID 66253733
2,5-difluoroaniline;ethane
CID 143759951
ethane;4-fluoro-1-(5-fluoro-2-methylphenyl)-2-methylbenzene
CID 143449254
5-(4-fluoro-2-methylphenyl)-2-methoxyaniline
CID 54971518
2-(3,5-diethyl-1-methylpyrazol-4-yl)-5-fluoroaniline
CID 107627272

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(4-fluoro-2,6-dimethylphenyl)aniline?
The IUPAC name of 5-fluoro-2-(4-fluoro-2,6-dimethylphenyl)aniline (CID 107627301) is 5-fluoro-2-(4-fluoro-2,6-dimethylphenyl)aniline.
What is the SMILES notation for 5-fluoro-2-(4-fluoro-2,6-dimethylphenyl)aniline?
The canonical SMILES for 5-fluoro-2-(4-fluoro-2,6-dimethylphenyl)aniline is Cc1cc(F)cc(C)c1-c1ccc(F)cc1N.
What is the InChIKey of 5-fluoro-2-(4-fluoro-2,6-dimethylphenyl)aniline?
The InChIKey is MHBTVMLFFGJYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N/c1-8-5-11(16)6-9(2)14(8)12-4-3-10(15)7-13(12)17/h3-7H,17H2,1-2H3.
What are the key properties of 5-fluoro-2-(4-fluoro-2,6-dimethylphenyl)aniline?
5-fluoro-2-(4-fluoro-2,6-dimethylphenyl)aniline has a molecular weight of 233.26 g/mol, XLogP of 3.83, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(4-fluoro-2,6-dimethylphenyl)aniline is sourced from PubChem (CID 107627301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).