1-(1-bromoethyl)-3-chloro-2-fluorobenzene

C8H7BrClF — CID 75481437

IUPAC1-(1-bromoethyl)-3-chloro-2-fluorobenzene
SMILESCC(Br)c1cccc(Cl)c1F
InChIInChI=1S/C8H7BrClF/c1-5(9)6-3-2-4-7(10)8(6)11/h2-5H,1H3
InChIKeyHTGPZZDWBXMVEM-UHFFFAOYSA-N
MW237.50 g/mol
LogP3.93
Rot. Bonds1

About 1-(1-bromoethyl)-3-chloro-2-fluorobenzene

1-(1-bromoethyl)-3-chloro-2-fluorobenzene (PubChem CID 75481437) has the molecular formula C8H7BrClF and a molecular weight of 237.50 g/mol. Its IUPAC name is 1-(1-bromoethyl)-3-chloro-2-fluorobenzene.

Molecular Properties

Compound Name1-(1-bromoethyl)-3-chloro-2-fluorobenzene
PubChem CID75481437
Molecular FormulaC8H7BrClF
Molecular Weight237.50 g/mol
Exact Mass235.94
IUPAC Name1-(1-bromoethyl)-3-chloro-2-fluorobenzene
SMILESCC(Br)c1cccc(Cl)c1F
InChIInChI=1S/C8H7BrClF/c1-5(9)6-3-2-4-7(10)8(6)11/h2-5H,1H3
InChIKeyHTGPZZDWBXMVEM-UHFFFAOYSA-N
XLogP3.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.50
LogP ≤ 53.93
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 1-(1-bromoethyl)-3-chloro-2-fluorobenzene?
The IUPAC name of 1-(1-bromoethyl)-3-chloro-2-fluorobenzene (CID 75481437) is 1-(1-bromoethyl)-3-chloro-2-fluorobenzene.
What is the SMILES notation for 1-(1-bromoethyl)-3-chloro-2-fluorobenzene?
The canonical SMILES for 1-(1-bromoethyl)-3-chloro-2-fluorobenzene is CC(Br)c1cccc(Cl)c1F.
What is the InChIKey of 1-(1-bromoethyl)-3-chloro-2-fluorobenzene?
The InChIKey is HTGPZZDWBXMVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrClF/c1-5(9)6-3-2-4-7(10)8(6)11/h2-5H,1H3.
What are the key properties of 1-(1-bromoethyl)-3-chloro-2-fluorobenzene?
1-(1-bromoethyl)-3-chloro-2-fluorobenzene has a molecular weight of 237.50 g/mol, XLogP of 3.93, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bromoethyl)-3-chloro-2-fluorobenzene is sourced from PubChem (CID 75481437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).