7-bromo-4,4-difluoro-2,3-dihydronaphthalen-1-imine

C10H8BrF2N — CID 89235871

IUPAC7-bromo-4,4-difluoro-2,3-dihydronaphthalen-1-imine
SMILES[H]/N=C1\CCC(F)(F)c2ccc(Br)cc21
InChIInChI=1S/C10H8BrF2N/c11-6-1-2-8-7(5-6)9(14)3-4-10(8,12)13/h1-2,5,14H,3-4H2/b14-9+
InChIKeyXZKHWZWXVKRRIO-NTEUORMPSA-N
MW260.08 g/mol
LogP3.70
Rot. Bonds

About 7-bromo-4,4-difluoro-2,3-dihydronaphthalen-1-imine

7-bromo-4,4-difluoro-2,3-dihydronaphthalen-1-imine (PubChem CID 89235871) has the molecular formula C10H8BrF2N and a molecular weight of 260.08 g/mol. Its IUPAC name is 7-bromo-4,4-difluoro-2,3-dihydronaphthalen-1-imine.

Molecular Properties

Compound Name7-bromo-4,4-difluoro-2,3-dihydronaphthalen-1-imine
PubChem CID89235871
Molecular FormulaC10H8BrF2N
Molecular Weight260.08 g/mol
Exact Mass258.98
IUPAC Name7-bromo-4,4-difluoro-2,3-dihydronaphthalen-1-imine
SMILES[H]/N=C1\CCC(F)(F)c2ccc(Br)cc21
InChIInChI=1S/C10H8BrF2N/c11-6-1-2-8-7(5-6)9(14)3-4-10(8,12)13/h1-2,5,14H,3-4H2/b14-9+
InChIKeyXZKHWZWXVKRRIO-NTEUORMPSA-N
XLogP3.70
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.08
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-4,4-difluoro-2,3-dihydronaphthalen-1-imine?
The IUPAC name of 7-bromo-4,4-difluoro-2,3-dihydronaphthalen-1-imine (CID 89235871) is 7-bromo-4,4-difluoro-2,3-dihydronaphthalen-1-imine.
What is the SMILES notation for 7-bromo-4,4-difluoro-2,3-dihydronaphthalen-1-imine?
The canonical SMILES for 7-bromo-4,4-difluoro-2,3-dihydronaphthalen-1-imine is [H]/N=C1\CCC(F)(F)c2ccc(Br)cc21.
What is the InChIKey of 7-bromo-4,4-difluoro-2,3-dihydronaphthalen-1-imine?
The InChIKey is XZKHWZWXVKRRIO-NTEUORMPSA-N. The full InChI is InChI=1S/C10H8BrF2N/c11-6-1-2-8-7(5-6)9(14)3-4-10(8,12)13/h1-2,5,14H,3-4H2/b14-9+.
What are the key properties of 7-bromo-4,4-difluoro-2,3-dihydronaphthalen-1-imine?
7-bromo-4,4-difluoro-2,3-dihydronaphthalen-1-imine has a molecular weight of 260.08 g/mol, XLogP of 3.70, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4,4-difluoro-2,3-dihydronaphthalen-1-imine is sourced from PubChem (CID 89235871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).