4-(1-bromoethyl)-2-chloro-1-fluorobenzene

C8H7BrClF — CID 43141468

IUPAC4-(1-bromoethyl)-2-chloro-1-fluorobenzene
SMILESCC(Br)c1ccc(F)c(Cl)c1
InChIInChI=1S/C8H7BrClF/c1-5(9)6-2-3-8(11)7(10)4-6/h2-5H,1H3
InChIKeyPFTSLXBGPLIJBB-UHFFFAOYSA-N
MW237.50 g/mol
LogP3.93
Rot. Bonds1

About 4-(1-bromoethyl)-2-chloro-1-fluorobenzene

4-(1-bromoethyl)-2-chloro-1-fluorobenzene (PubChem CID 43141468) has the molecular formula C8H7BrClF and a molecular weight of 237.50 g/mol. Its IUPAC name is 4-(1-bromoethyl)-2-chloro-1-fluorobenzene.

Molecular Properties

Compound Name4-(1-bromoethyl)-2-chloro-1-fluorobenzene
PubChem CID43141468
Molecular FormulaC8H7BrClF
Molecular Weight237.50 g/mol
Exact Mass235.94
IUPAC Name4-(1-bromoethyl)-2-chloro-1-fluorobenzene
SMILESCC(Br)c1ccc(F)c(Cl)c1
InChIInChI=1S/C8H7BrClF/c1-5(9)6-2-3-8(11)7(10)4-6/h2-5H,1H3
InChIKeyPFTSLXBGPLIJBB-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 4-(1-bromoethyl)-2-chloro-1-fluorobenzene?
The IUPAC name of 4-(1-bromoethyl)-2-chloro-1-fluorobenzene (CID 43141468) is 4-(1-bromoethyl)-2-chloro-1-fluorobenzene.
What is the SMILES notation for 4-(1-bromoethyl)-2-chloro-1-fluorobenzene?
The canonical SMILES for 4-(1-bromoethyl)-2-chloro-1-fluorobenzene is CC(Br)c1ccc(F)c(Cl)c1.
What is the InChIKey of 4-(1-bromoethyl)-2-chloro-1-fluorobenzene?
The InChIKey is PFTSLXBGPLIJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrClF/c1-5(9)6-2-3-8(11)7(10)4-6/h2-5H,1H3.
What are the key properties of 4-(1-bromoethyl)-2-chloro-1-fluorobenzene?
4-(1-bromoethyl)-2-chloro-1-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 4-(1-bromoethyl)-2-chloro-1-fluorobenzene is sourced from PubChem (CID 43141468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).