4-bromo-1-(4-chloro-3-fluorophenyl)-2-fluorobenzene

C12H6BrClF2 — CID 23364839

IUPAC4-bromo-1-(4-chloro-3-fluorophenyl)-2-fluorobenzene
SMILESFc1cc(-c2ccc(Br)cc2F)ccc1Cl
InChIInChI=1S/C12H6BrClF2/c13-8-2-3-9(11(15)6-8)7-1-4-10(14)12(16)5-7/h1-6H
InChIKeyIDOQVVIAYAEODJ-UHFFFAOYSA-N
MW303.53 g/mol
LogP5.05
Rot. Bonds1

About 4-bromo-1-(4-chloro-3-fluorophenyl)-2-fluorobenzene

4-bromo-1-(4-chloro-3-fluorophenyl)-2-fluorobenzene (PubChem CID 23364839) has the molecular formula C12H6BrClF2 and a molecular weight of 303.53 g/mol. Its IUPAC name is 4-bromo-1-(4-chloro-3-fluorophenyl)-2-fluorobenzene.

Molecular Properties

Compound Name4-bromo-1-(4-chloro-3-fluorophenyl)-2-fluorobenzene
PubChem CID23364839
Molecular FormulaC12H6BrClF2
Molecular Weight303.53 g/mol
Exact Mass301.93
IUPAC Name4-bromo-1-(4-chloro-3-fluorophenyl)-2-fluorobenzene
SMILESFc1cc(-c2ccc(Br)cc2F)ccc1Cl
InChIInChI=1S/C12H6BrClF2/c13-8-2-3-9(11(15)6-8)7-1-4-10(14)12(16)5-7/h1-6H
InChIKeyIDOQVVIAYAEODJ-UHFFFAOYSA-N
XLogP5.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.53
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 154709388
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CID 70674920
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CID 72713575
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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(4-chloro-3-fluorophenyl)-2-fluorobenzene?
The IUPAC name of 4-bromo-1-(4-chloro-3-fluorophenyl)-2-fluorobenzene (CID 23364839) is 4-bromo-1-(4-chloro-3-fluorophenyl)-2-fluorobenzene.
What is the SMILES notation for 4-bromo-1-(4-chloro-3-fluorophenyl)-2-fluorobenzene?
The canonical SMILES for 4-bromo-1-(4-chloro-3-fluorophenyl)-2-fluorobenzene is Fc1cc(-c2ccc(Br)cc2F)ccc1Cl.
What is the InChIKey of 4-bromo-1-(4-chloro-3-fluorophenyl)-2-fluorobenzene?
The InChIKey is IDOQVVIAYAEODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrClF2/c13-8-2-3-9(11(15)6-8)7-1-4-10(14)12(16)5-7/h1-6H.
What are the key properties of 4-bromo-1-(4-chloro-3-fluorophenyl)-2-fluorobenzene?
4-bromo-1-(4-chloro-3-fluorophenyl)-2-fluorobenzene has a molecular weight of 303.53 g/mol, XLogP of 5.05, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(4-chloro-3-fluorophenyl)-2-fluorobenzene is sourced from PubChem (CID 23364839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).