1-bromo-1-chloropent-1-ene

C5H8BrCl — CID 535956

IUPAC1-bromo-1-chloropent-1-ene
SMILESCCCC=C(Cl)Br
InChIInChI=1S/C5H8BrCl/c1-2-3-4-5(6)7/h4H,2-3H2,1H3
InChIKeyUWTZJROFMDRGFF-UHFFFAOYSA-N
MW183.48 g/mol
LogP3.26
Rot. Bonds2

About 1-bromo-1-chloropent-1-ene

1-bromo-1-chloropent-1-ene (PubChem CID 535956) has the molecular formula C5H8BrCl and a molecular weight of 183.48 g/mol. Its IUPAC name is 1-bromo-1-chloropent-1-ene.

Molecular Properties

Compound Name1-bromo-1-chloropent-1-ene
PubChem CID535956
Molecular FormulaC5H8BrCl
Molecular Weight183.48 g/mol
Exact Mass181.95
IUPAC Name1-bromo-1-chloropent-1-ene
SMILESCCCC=C(Cl)Br
InChIInChI=1S/C5H8BrCl/c1-2-3-4-5(6)7/h4H,2-3H2,1H3
InChIKeyUWTZJROFMDRGFF-UHFFFAOYSA-N
XLogP3.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.48
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-1-chloropent-1-ene?
The IUPAC name of 1-bromo-1-chloropent-1-ene (CID 535956) is 1-bromo-1-chloropent-1-ene.
What is the SMILES notation for 1-bromo-1-chloropent-1-ene?
The canonical SMILES for 1-bromo-1-chloropent-1-ene is CCCC=C(Cl)Br.
What is the InChIKey of 1-bromo-1-chloropent-1-ene?
The InChIKey is UWTZJROFMDRGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8BrCl/c1-2-3-4-5(6)7/h4H,2-3H2,1H3.
What are the key properties of 1-bromo-1-chloropent-1-ene?
1-bromo-1-chloropent-1-ene has a molecular weight of 183.48 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-1-chloropent-1-ene is sourced from PubChem (CID 535956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).