2-bromo-6-fluoroaniline;dihydrofluoride

C6H7BrF3N — CID 174694012

IUPAC2-bromo-6-fluoroaniline;dihydrofluoride
SMILESF.F.Nc1c(F)cccc1Br
InChIInChI=1S/C6H5BrFN.2FH/c7-4-2-1-3-5(8)6(4)9;;/h1-3H,9H2;2*1H
InChIKeyAHBTWVSEVAUYHC-UHFFFAOYSA-N
MW230.03 g/mol
LogP2.48
Rot. Bonds

About 2-bromo-6-fluoroaniline;dihydrofluoride

2-bromo-6-fluoroaniline;dihydrofluoride (PubChem CID 174694012) has the molecular formula C6H7BrF3N and a molecular weight of 230.03 g/mol. Its IUPAC name is 2-bromo-6-fluoroaniline;dihydrofluoride.

Molecular Properties

Compound Name2-bromo-6-fluoroaniline;dihydrofluoride
PubChem CID174694012
Molecular FormulaC6H7BrF3N
Molecular Weight230.03 g/mol
Exact Mass228.97
IUPAC Name2-bromo-6-fluoroaniline;dihydrofluoride
SMILESF.F.Nc1c(F)cccc1Br
InChIInChI=1S/C6H5BrFN.2FH/c7-4-2-1-3-5(8)6(4)9;;/h1-3H,9H2;2*1H
InChIKeyAHBTWVSEVAUYHC-UHFFFAOYSA-N
XLogP2.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.03
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-fluoroaniline;dihydrofluoride?
The IUPAC name of 2-bromo-6-fluoroaniline;dihydrofluoride (CID 174694012) is 2-bromo-6-fluoroaniline;dihydrofluoride.
What is the SMILES notation for 2-bromo-6-fluoroaniline;dihydrofluoride?
The canonical SMILES for 2-bromo-6-fluoroaniline;dihydrofluoride is F.F.Nc1c(F)cccc1Br.
What is the InChIKey of 2-bromo-6-fluoroaniline;dihydrofluoride?
The InChIKey is AHBTWVSEVAUYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrFN.2FH/c7-4-2-1-3-5(8)6(4)9;;/h1-3H,9H2;2*1H.
What are the key properties of 2-bromo-6-fluoroaniline;dihydrofluoride?
2-bromo-6-fluoroaniline;dihydrofluoride has a molecular weight of 230.03 g/mol, XLogP of 2.48, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-fluoroaniline;dihydrofluoride is sourced from PubChem (CID 174694012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).