4-(3-bromo-2,6-difluorophenyl)-2-fluoroaniline

C12H7BrF3N — CID 106943233

IUPAC4-(3-bromo-2,6-difluorophenyl)-2-fluoroaniline
SMILESNc1ccc(-c2c(F)ccc(Br)c2F)cc1F
InChIInChI=1S/C12H7BrF3N/c13-7-2-3-8(14)11(12(7)16)6-1-4-10(17)9(15)5-6/h1-5H,17H2
InChIKeyUOQFLDNZVFLABP-UHFFFAOYSA-N
MW302.09 g/mol
LogP4.12
Rot. Bonds1

About 4-(3-bromo-2,6-difluorophenyl)-2-fluoroaniline

4-(3-bromo-2,6-difluorophenyl)-2-fluoroaniline (PubChem CID 106943233) has the molecular formula C12H7BrF3N and a molecular weight of 302.09 g/mol. Its IUPAC name is 4-(3-bromo-2,6-difluorophenyl)-2-fluoroaniline.

Molecular Properties

Compound Name4-(3-bromo-2,6-difluorophenyl)-2-fluoroaniline
PubChem CID106943233
Molecular FormulaC12H7BrF3N
Molecular Weight302.09 g/mol
Exact Mass300.97
IUPAC Name4-(3-bromo-2,6-difluorophenyl)-2-fluoroaniline
SMILESNc1ccc(-c2c(F)ccc(Br)c2F)cc1F
InChIInChI=1S/C12H7BrF3N/c13-7-2-3-8(14)11(12(7)16)6-1-4-10(17)9(15)5-6/h1-5H,17H2
InChIKeyUOQFLDNZVFLABP-UHFFFAOYSA-N
XLogP4.12
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.09
LogP ≤ 54.12
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

2-fluoro-4-(2,4,6-trifluorophenyl)aniline
CID 54912768
1-bromo-2,4-difluoro-3-(4-nitrophenyl)benzene
CID 102529934
3-(3-bromo-2,6-difluorophenyl)-1,2-oxazol-5-amine
CID 117439369
4-[5-(4-amino-3-fluorophenyl)naphthalen-1-yl]-2-fluoroaniline
CID 146374126
2-fluoro-4-[4-fluoro-3-(trifluoromethyl)phenyl]aniline
CID 107289637
N-[[4-(3-bromo-2,6-difluorophenyl)phenyl]methyl]ethanamine
CID 106943271
2,4-difluoro-3-(2-methylquinazolin-6-yl)aniline;ethane
CID 156832886
2-fluoro-4-(2,4,6-trimethoxyphenyl)aniline
CID 61025671
4-[1-(4-bromo-3-methylphenyl)tetrazol-5-yl]-2-fluoroaniline
CID 62683011
6-(4-bromo-3-fluorophenyl)-1,3,5-triazine-2,4-diamine
CID 112681578
4-[3-(3-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-fluoroaniline
CID 107916360
6-(3-bromo-2,6-difluorophenyl)pyrazin-2-amine
CID 106943753

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-2,6-difluorophenyl)-2-fluoroaniline?
The IUPAC name of 4-(3-bromo-2,6-difluorophenyl)-2-fluoroaniline (CID 106943233) is 4-(3-bromo-2,6-difluorophenyl)-2-fluoroaniline.
What is the SMILES notation for 4-(3-bromo-2,6-difluorophenyl)-2-fluoroaniline?
The canonical SMILES for 4-(3-bromo-2,6-difluorophenyl)-2-fluoroaniline is Nc1ccc(-c2c(F)ccc(Br)c2F)cc1F.
What is the InChIKey of 4-(3-bromo-2,6-difluorophenyl)-2-fluoroaniline?
The InChIKey is UOQFLDNZVFLABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrF3N/c13-7-2-3-8(14)11(12(7)16)6-1-4-10(17)9(15)5-6/h1-5H,17H2.
What are the key properties of 4-(3-bromo-2,6-difluorophenyl)-2-fluoroaniline?
4-(3-bromo-2,6-difluorophenyl)-2-fluoroaniline has a molecular weight of 302.09 g/mol, XLogP of 4.12, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-2,6-difluorophenyl)-2-fluoroaniline is sourced from PubChem (CID 106943233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).