1-bromo-2-fluoro-4-[(E)-pent-1-enyl]benzene

C11H12BrF — CID 151979932

IUPAC1-bromo-2-fluoro-4-[(E)-pent-1-enyl]benzene
SMILESCCC/C=C/c1ccc(Br)c(F)c1
InChIInChI=1S/C11H12BrF/c1-2-3-4-5-9-6-7-10(12)11(13)8-9/h4-8H,2-3H2,1H3/b5-4+
InChIKeyUCLPXTLLDNCEQU-SNAWJCMRSA-N
MW243.12 g/mol
LogP4.40
Rot. Bonds3

About 1-bromo-2-fluoro-4-[(E)-pent-1-enyl]benzene

1-bromo-2-fluoro-4-[(E)-pent-1-enyl]benzene (PubChem CID 151979932) has the molecular formula C11H12BrF and a molecular weight of 243.12 g/mol. Its IUPAC name is 1-bromo-2-fluoro-4-[(E)-pent-1-enyl]benzene.

Molecular Properties

Compound Name1-bromo-2-fluoro-4-[(E)-pent-1-enyl]benzene
PubChem CID151979932
Molecular FormulaC11H12BrF
Molecular Weight243.12 g/mol
Exact Mass242.01
IUPAC Name1-bromo-2-fluoro-4-[(E)-pent-1-enyl]benzene
SMILESCCC/C=C/c1ccc(Br)c(F)c1
InChIInChI=1S/C11H12BrF/c1-2-3-4-5-9-6-7-10(12)11(13)8-9/h4-8H,2-3H2,1H3/b5-4+
InChIKeyUCLPXTLLDNCEQU-SNAWJCMRSA-N
XLogP4.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.12
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-fluoro-4-[(E)-pent-1-enyl]benzene?
The IUPAC name of 1-bromo-2-fluoro-4-[(E)-pent-1-enyl]benzene (CID 151979932) is 1-bromo-2-fluoro-4-[(E)-pent-1-enyl]benzene.
What is the SMILES notation for 1-bromo-2-fluoro-4-[(E)-pent-1-enyl]benzene?
The canonical SMILES for 1-bromo-2-fluoro-4-[(E)-pent-1-enyl]benzene is CCC/C=C/c1ccc(Br)c(F)c1.
What is the InChIKey of 1-bromo-2-fluoro-4-[(E)-pent-1-enyl]benzene?
The InChIKey is UCLPXTLLDNCEQU-SNAWJCMRSA-N. The full InChI is InChI=1S/C11H12BrF/c1-2-3-4-5-9-6-7-10(12)11(13)8-9/h4-8H,2-3H2,1H3/b5-4+.
What are the key properties of 1-bromo-2-fluoro-4-[(E)-pent-1-enyl]benzene?
1-bromo-2-fluoro-4-[(E)-pent-1-enyl]benzene has a molecular weight of 243.12 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-fluoro-4-[(E)-pent-1-enyl]benzene is sourced from PubChem (CID 151979932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).