2-bromo-4-(difluoromethoxy)-5-fluoroaniline

C7H5BrF3NO — CID 131289039

IUPAC2-bromo-4-(difluoromethoxy)-5-fluoroaniline
SMILESNc1cc(F)c(OC(F)F)cc1Br
InChIInChI=1S/C7H5BrF3NO/c8-3-1-6(13-7(10)11)4(9)2-5(3)12/h1-2,7H,12H2
InChIKeyBNVOVXRKQYXBHQ-UHFFFAOYSA-N
MW256.02 g/mol
LogP2.77
Rot. Bonds2

About 2-bromo-4-(difluoromethoxy)-5-fluoroaniline

2-bromo-4-(difluoromethoxy)-5-fluoroaniline (PubChem CID 131289039) has the molecular formula C7H5BrF3NO and a molecular weight of 256.02 g/mol. Its IUPAC name is 2-bromo-4-(difluoromethoxy)-5-fluoroaniline.

Molecular Properties

Compound Name2-bromo-4-(difluoromethoxy)-5-fluoroaniline
PubChem CID131289039
Molecular FormulaC7H5BrF3NO
Molecular Weight256.02 g/mol
Exact Mass254.95
IUPAC Name2-bromo-4-(difluoromethoxy)-5-fluoroaniline
SMILESNc1cc(F)c(OC(F)F)cc1Br
InChIInChI=1S/C7H5BrF3NO/c8-3-1-6(13-7(10)11)4(9)2-5(3)12/h1-2,7H,12H2
InChIKeyBNVOVXRKQYXBHQ-UHFFFAOYSA-N
XLogP2.77
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.02
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-4-(difluoromethoxy)-5-methoxyaniline
CID 68604722
2-(3-bromo-4-fluorophenoxy)-4-(difluoromethoxy)-5-fluoroaniline
CID 83233305
1-bromo-4-chloro-5-(difluoromethoxy)-2-fluorobenzene
CID 75365418
5-bromo-4-(difluoromethoxy)-2-iodoaniline
CID 131323570
ethyl 5-amino-4-bromo-2-(difluoromethoxy)benzoate
CID 171019526
4-(difluoromethoxy)-5-fluoro-2-(1H-imidazol-2-ylsulfanyl)aniline
CID 107779448
4-(difluoromethoxy)-2-(3,3-dimethylbutoxy)-5-fluoroaniline
CID 66232211
4-(difluoromethoxy)-2-[3-(dimethylamino)propoxy]-5-fluoroaniline
CID 63593902
2-N-cyclopentyl-4-(difluoromethoxy)-5-fluorobenzene-1,2-diamine
CID 55215701
2-[(2-chlorophenyl)methylsulfanyl]-4-(difluoromethoxy)-5-fluoroaniline
CID 103288221
5-bromo-2-(difluoromethoxy)-4-(trifluoromethyl)aniline
CID 131404488
2-bromo-4-fluoro-5-(trifluoromethoxy)aniline
CID 98041876

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(difluoromethoxy)-5-fluoroaniline?
The IUPAC name of 2-bromo-4-(difluoromethoxy)-5-fluoroaniline (CID 131289039) is 2-bromo-4-(difluoromethoxy)-5-fluoroaniline.
What is the SMILES notation for 2-bromo-4-(difluoromethoxy)-5-fluoroaniline?
The canonical SMILES for 2-bromo-4-(difluoromethoxy)-5-fluoroaniline is Nc1cc(F)c(OC(F)F)cc1Br.
What is the InChIKey of 2-bromo-4-(difluoromethoxy)-5-fluoroaniline?
The InChIKey is BNVOVXRKQYXBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF3NO/c8-3-1-6(13-7(10)11)4(9)2-5(3)12/h1-2,7H,12H2.
What are the key properties of 2-bromo-4-(difluoromethoxy)-5-fluoroaniline?
2-bromo-4-(difluoromethoxy)-5-fluoroaniline has a molecular weight of 256.02 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(difluoromethoxy)-5-fluoroaniline is sourced from PubChem (CID 131289039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).