6-bromo-3,4-difluoro-2-methylaniline

C7H6BrF2N — CID 14738850

IUPAC6-bromo-3,4-difluoro-2-methylaniline
SMILESCc1c(N)c(Br)cc(F)c1F
InChIInChI=1S/C7H6BrF2N/c1-3-6(10)5(9)2-4(8)7(3)11/h2H,11H2,1H3
InChIKeyWHWATFUTHSVOPG-UHFFFAOYSA-N
MW222.03 g/mol
LogP2.62
Rot. Bonds

About 6-bromo-3,4-difluoro-2-methylaniline

6-bromo-3,4-difluoro-2-methylaniline (PubChem CID 14738850) has the molecular formula C7H6BrF2N and a molecular weight of 222.03 g/mol. Its IUPAC name is 6-bromo-3,4-difluoro-2-methylaniline.

Molecular Properties

Compound Name6-bromo-3,4-difluoro-2-methylaniline
PubChem CID14738850
Molecular FormulaC7H6BrF2N
Molecular Weight222.03 g/mol
Exact Mass220.97
IUPAC Name6-bromo-3,4-difluoro-2-methylaniline
SMILESCc1c(N)c(Br)cc(F)c1F
InChIInChI=1S/C7H6BrF2N/c1-3-6(10)5(9)2-4(8)7(3)11/h2H,11H2,1H3
InChIKeyWHWATFUTHSVOPG-UHFFFAOYSA-N
XLogP2.62
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.03
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2,6-difluoro-3-methylaniline
CID 57493956
1-bromo-4,5-difluoro-3-methyl-2-(trifluoromethyl)benzene
CID 170917204
3,4,6-tribromo-2-methylaniline
CID 164893724
ethane;methyl 4-amino-5-bromo-2-fluoro-3-methylbenzoate
CID 176931839
ethane;1,2,4,5-tetrafluoro-3-methylbenzene
CID 143259717
2-bromo-4-fluoro-6-methylaniline
CID 2773378
ethane;2,3,5,6-tetrafluoroaniline
CID 154678720
4-bromo-2-fluoro-5-methylaniline;ethane
CID 177009828
1-bromo-3-chloro-2,4,5-trifluorobenzene
CID 14978107
4-bromo-6-fluoro-3-methyl-2-nitroaniline
CID 130562796
3-bromo-4-fluoro-2,6-dimethylaniline;ethane
CID 168927832
3-bromo-2,4-difluoro-6-methylaniline;hydrochloride
CID 178161006

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3,4-difluoro-2-methylaniline?
The IUPAC name of 6-bromo-3,4-difluoro-2-methylaniline (CID 14738850) is 6-bromo-3,4-difluoro-2-methylaniline.
What is the SMILES notation for 6-bromo-3,4-difluoro-2-methylaniline?
The canonical SMILES for 6-bromo-3,4-difluoro-2-methylaniline is Cc1c(N)c(Br)cc(F)c1F.
What is the InChIKey of 6-bromo-3,4-difluoro-2-methylaniline?
The InChIKey is WHWATFUTHSVOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrF2N/c1-3-6(10)5(9)2-4(8)7(3)11/h2H,11H2,1H3.
What are the key properties of 6-bromo-3,4-difluoro-2-methylaniline?
6-bromo-3,4-difluoro-2-methylaniline has a molecular weight of 222.03 g/mol, XLogP of 2.62, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3,4-difluoro-2-methylaniline is sourced from PubChem (CID 14738850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).