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

C12H7BrClF — CID 2756880

IUPAC4-(4-bromophenyl)-1-chloro-2-fluorobenzene
SMILESFc1cc(-c2ccc(Br)cc2)ccc1Cl
InChIInChI=1S/C12H7BrClF/c13-10-4-1-8(2-5-10)9-3-6-11(14)12(15)7-9/h1-7H
InChIKeyKJRVHTZNOIBGHY-UHFFFAOYSA-N
MW285.54 g/mol
LogP4.91
Rot. Bonds1

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

4-(4-bromophenyl)-1-chloro-2-fluorobenzene (PubChem CID 2756880) has the molecular formula C12H7BrClF and a molecular weight of 285.54 g/mol. Its IUPAC name is 4-(4-bromophenyl)-1-chloro-2-fluorobenzene.

Molecular Properties

Compound Name4-(4-bromophenyl)-1-chloro-2-fluorobenzene
PubChem CID2756880
Molecular FormulaC12H7BrClF
Molecular Weight285.54 g/mol
Exact Mass283.94
IUPAC Name4-(4-bromophenyl)-1-chloro-2-fluorobenzene
SMILESFc1cc(-c2ccc(Br)cc2)ccc1Cl
InChIInChI=1S/C12H7BrClF/c13-10-4-1-8(2-5-10)9-3-6-11(14)12(15)7-9/h1-7H
InChIKeyKJRVHTZNOIBGHY-UHFFFAOYSA-N
XLogP4.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.54
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-1-chloro-2-fluorobenzene?
The IUPAC name of 4-(4-bromophenyl)-1-chloro-2-fluorobenzene (CID 2756880) is 4-(4-bromophenyl)-1-chloro-2-fluorobenzene.
What is the SMILES notation for 4-(4-bromophenyl)-1-chloro-2-fluorobenzene?
The canonical SMILES for 4-(4-bromophenyl)-1-chloro-2-fluorobenzene is Fc1cc(-c2ccc(Br)cc2)ccc1Cl.
What is the InChIKey of 4-(4-bromophenyl)-1-chloro-2-fluorobenzene?
The InChIKey is KJRVHTZNOIBGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClF/c13-10-4-1-8(2-5-10)9-3-6-11(14)12(15)7-9/h1-7H.
What are the key properties of 4-(4-bromophenyl)-1-chloro-2-fluorobenzene?
4-(4-bromophenyl)-1-chloro-2-fluorobenzene has a molecular weight of 285.54 g/mol, XLogP of 4.91, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-1-chloro-2-fluorobenzene is sourced from PubChem (CID 2756880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).