2-bromo-4-(2,2-dichlorocyclopropyl)-1-fluorobenzene

C9H6BrCl2F — CID 161444513

IUPAC2-bromo-4-(2,2-dichlorocyclopropyl)-1-fluorobenzene
SMILESFc1ccc(C2CC2(Cl)Cl)cc1Br
InChIInChI=1S/C9H6BrCl2F/c10-7-3-5(1-2-8(7)13)6-4-9(6,11)12/h1-3,6H,4H2
InChIKeyVZSHRLPSCCTCML-UHFFFAOYSA-N
MW283.96 g/mol
LogP4.25
Rot. Bonds1

About 2-bromo-4-(2,2-dichlorocyclopropyl)-1-fluorobenzene

2-bromo-4-(2,2-dichlorocyclopropyl)-1-fluorobenzene (PubChem CID 161444513) has the molecular formula C9H6BrCl2F and a molecular weight of 283.96 g/mol. Its IUPAC name is 2-bromo-4-(2,2-dichlorocyclopropyl)-1-fluorobenzene.

Molecular Properties

Compound Name2-bromo-4-(2,2-dichlorocyclopropyl)-1-fluorobenzene
PubChem CID161444513
Molecular FormulaC9H6BrCl2F
Molecular Weight283.96 g/mol
Exact Mass281.90
IUPAC Name2-bromo-4-(2,2-dichlorocyclopropyl)-1-fluorobenzene
SMILESFc1ccc(C2CC2(Cl)Cl)cc1Br
InChIInChI=1S/C9H6BrCl2F/c10-7-3-5(1-2-8(7)13)6-4-9(6,11)12/h1-3,6H,4H2
InChIKeyVZSHRLPSCCTCML-UHFFFAOYSA-N
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.96
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(2,2-dichlorocyclopropyl)-1-fluorobenzene?
The IUPAC name of 2-bromo-4-(2,2-dichlorocyclopropyl)-1-fluorobenzene (CID 161444513) is 2-bromo-4-(2,2-dichlorocyclopropyl)-1-fluorobenzene.
What is the SMILES notation for 2-bromo-4-(2,2-dichlorocyclopropyl)-1-fluorobenzene?
The canonical SMILES for 2-bromo-4-(2,2-dichlorocyclopropyl)-1-fluorobenzene is Fc1ccc(C2CC2(Cl)Cl)cc1Br.
What is the InChIKey of 2-bromo-4-(2,2-dichlorocyclopropyl)-1-fluorobenzene?
The InChIKey is VZSHRLPSCCTCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrCl2F/c10-7-3-5(1-2-8(7)13)6-4-9(6,11)12/h1-3,6H,4H2.
What are the key properties of 2-bromo-4-(2,2-dichlorocyclopropyl)-1-fluorobenzene?
2-bromo-4-(2,2-dichlorocyclopropyl)-1-fluorobenzene has a molecular weight of 283.96 g/mol, XLogP of 4.25, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(2,2-dichlorocyclopropyl)-1-fluorobenzene is sourced from PubChem (CID 161444513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).