2-bromo-4-[bromo-(1-phenylcyclopropyl)methyl]-1-fluorobenzene

C16H13Br2F — CID 79742516

IUPAC2-bromo-4-[bromo-(1-phenylcyclopropyl)methyl]-1-fluorobenzene
SMILESFc1ccc(C(Br)C2(c3ccccc3)CC2)cc1Br
InChIInChI=1S/C16H13Br2F/c17-13-10-11(6-7-14(13)19)15(18)16(8-9-16)12-4-2-1-3-5-12/h1-7,10,15H,8-9H2
InChIKeyGAXMOBFCFAROJW-UHFFFAOYSA-N
MW384.09 g/mol
LogP5.76
Rot. Bonds3

About 2-bromo-4-[bromo-(1-phenylcyclopropyl)methyl]-1-fluorobenzene

2-bromo-4-[bromo-(1-phenylcyclopropyl)methyl]-1-fluorobenzene (PubChem CID 79742516) has the molecular formula C16H13Br2F and a molecular weight of 384.09 g/mol. Its IUPAC name is 2-bromo-4-[bromo-(1-phenylcyclopropyl)methyl]-1-fluorobenzene.

Molecular Properties

Compound Name2-bromo-4-[bromo-(1-phenylcyclopropyl)methyl]-1-fluorobenzene
PubChem CID79742516
Molecular FormulaC16H13Br2F
Molecular Weight384.09 g/mol
Exact Mass381.94
IUPAC Name2-bromo-4-[bromo-(1-phenylcyclopropyl)methyl]-1-fluorobenzene
SMILESFc1ccc(C(Br)C2(c3ccccc3)CC2)cc1Br
InChIInChI=1S/C16H13Br2F/c17-13-10-11(6-7-14(13)19)15(18)16(8-9-16)12-4-2-1-3-5-12/h1-7,10,15H,8-9H2
InChIKeyGAXMOBFCFAROJW-UHFFFAOYSA-N
XLogP5.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.09
LogP ≤ 55.76
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-[bromo-(1-phenylcyclopropyl)methyl]-1-fluorobenzene?
The IUPAC name of 2-bromo-4-[bromo-(1-phenylcyclopropyl)methyl]-1-fluorobenzene (CID 79742516) is 2-bromo-4-[bromo-(1-phenylcyclopropyl)methyl]-1-fluorobenzene.
What is the SMILES notation for 2-bromo-4-[bromo-(1-phenylcyclopropyl)methyl]-1-fluorobenzene?
The canonical SMILES for 2-bromo-4-[bromo-(1-phenylcyclopropyl)methyl]-1-fluorobenzene is Fc1ccc(C(Br)C2(c3ccccc3)CC2)cc1Br.
What is the InChIKey of 2-bromo-4-[bromo-(1-phenylcyclopropyl)methyl]-1-fluorobenzene?
The InChIKey is GAXMOBFCFAROJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Br2F/c17-13-10-11(6-7-14(13)19)15(18)16(8-9-16)12-4-2-1-3-5-12/h1-7,10,15H,8-9H2.
What are the key properties of 2-bromo-4-[bromo-(1-phenylcyclopropyl)methyl]-1-fluorobenzene?
2-bromo-4-[bromo-(1-phenylcyclopropyl)methyl]-1-fluorobenzene has a molecular weight of 384.09 g/mol, XLogP of 5.76, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[bromo-(1-phenylcyclopropyl)methyl]-1-fluorobenzene is sourced from PubChem (CID 79742516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).