1-(2-bromoprop-2-enyl)-2-chloro-4-fluorobenzene

C9H7BrClF — CID 24722099

IUPAC1-(2-bromoprop-2-enyl)-2-chloro-4-fluorobenzene
SMILESC=C(Br)Cc1ccc(F)cc1Cl
InChIInChI=1S/C9H7BrClF/c1-6(10)4-7-2-3-8(12)5-9(7)11/h2-3,5H,1,4H2
InChIKeyGCYGDYOMSAUGME-UHFFFAOYSA-N
MW249.51 g/mol
LogP3.93
Rot. Bonds2

About 1-(2-bromoprop-2-enyl)-2-chloro-4-fluorobenzene

1-(2-bromoprop-2-enyl)-2-chloro-4-fluorobenzene (PubChem CID 24722099) has the molecular formula C9H7BrClF and a molecular weight of 249.51 g/mol. Its IUPAC name is 1-(2-bromoprop-2-enyl)-2-chloro-4-fluorobenzene.

Molecular Properties

Compound Name1-(2-bromoprop-2-enyl)-2-chloro-4-fluorobenzene
PubChem CID24722099
Molecular FormulaC9H7BrClF
Molecular Weight249.51 g/mol
Exact Mass247.94
IUPAC Name1-(2-bromoprop-2-enyl)-2-chloro-4-fluorobenzene
SMILESC=C(Br)Cc1ccc(F)cc1Cl
InChIInChI=1S/C9H7BrClF/c1-6(10)4-7-2-3-8(12)5-9(7)11/h2-3,5H,1,4H2
InChIKeyGCYGDYOMSAUGME-UHFFFAOYSA-N
XLogP3.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.51
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoprop-2-enyl)-2-chloro-4-fluorobenzene?
The IUPAC name of 1-(2-bromoprop-2-enyl)-2-chloro-4-fluorobenzene (CID 24722099) is 1-(2-bromoprop-2-enyl)-2-chloro-4-fluorobenzene.
What is the SMILES notation for 1-(2-bromoprop-2-enyl)-2-chloro-4-fluorobenzene?
The canonical SMILES for 1-(2-bromoprop-2-enyl)-2-chloro-4-fluorobenzene is C=C(Br)Cc1ccc(F)cc1Cl.
What is the InChIKey of 1-(2-bromoprop-2-enyl)-2-chloro-4-fluorobenzene?
The InChIKey is GCYGDYOMSAUGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrClF/c1-6(10)4-7-2-3-8(12)5-9(7)11/h2-3,5H,1,4H2.
What are the key properties of 1-(2-bromoprop-2-enyl)-2-chloro-4-fluorobenzene?
1-(2-bromoprop-2-enyl)-2-chloro-4-fluorobenzene has a molecular weight of 249.51 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoprop-2-enyl)-2-chloro-4-fluorobenzene is sourced from PubChem (CID 24722099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).