4-[(E)-5-bromopent-2-enyl]-2-chloro-1-fluorobenzene

C11H11BrClF — CID 103042216

IUPAC4-[(E)-5-bromopent-2-enyl]-2-chloro-1-fluorobenzene
SMILESFc1ccc(C/C=C/CCBr)cc1Cl
InChIInChI=1S/C11H11BrClF/c12-7-3-1-2-4-9-5-6-11(14)10(13)8-9/h1-2,5-6,8H,3-4,7H2/b2-1+
InChIKeyJYDKDMYPWBUPQU-OWOJBTEDSA-N
MW277.56 g/mol
LogP4.36
Rot. Bonds4

About 4-[(E)-5-bromopent-2-enyl]-2-chloro-1-fluorobenzene

4-[(E)-5-bromopent-2-enyl]-2-chloro-1-fluorobenzene (PubChem CID 103042216) has the molecular formula C11H11BrClF and a molecular weight of 277.56 g/mol. Its IUPAC name is 4-[(E)-5-bromopent-2-enyl]-2-chloro-1-fluorobenzene.

Molecular Properties

Compound Name4-[(E)-5-bromopent-2-enyl]-2-chloro-1-fluorobenzene
PubChem CID103042216
Molecular FormulaC11H11BrClF
Molecular Weight277.56 g/mol
Exact Mass275.97
IUPAC Name4-[(E)-5-bromopent-2-enyl]-2-chloro-1-fluorobenzene
SMILESFc1ccc(C/C=C/CCBr)cc1Cl
InChIInChI=1S/C11H11BrClF/c12-7-3-1-2-4-9-5-6-11(14)10(13)8-9/h1-2,5-6,8H,3-4,7H2/b2-1+
InChIKeyJYDKDMYPWBUPQU-OWOJBTEDSA-N
XLogP4.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.56
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-(4-bromobut-1-enyl)-2-chloro-1-fluorobenzene
CID 170497026
2-chloro-1-fluoro-4-(fluoromethyl)benzene
CID 84651474
1-bromo-3-(3-chloro-4-fluorophenyl)propan-2-one
CID 131189515
1,2-dichloro-4-[(E)-4-chlorobut-2-enyl]benzene
CID 21327838
4-(4-bromo-3-methylbutyl)-2-chloro-1-fluorobenzene
CID 103041716
4-(bromomethyl)-4-[(3-chloro-4-fluorophenyl)methyl]oxane
CID 103042052
1-(4-bromobut-1-enyl)-3-chloro-2,4-difluorobenzene
CID 170497258
(3-chloro-4-fluorophenyl)methanamine;methoxymethane
CID 144849872
2-chloro-4-(cyclopropylmethyl)-1-fluorobenzene
CID 155293823
(3-chloro-4-fluorophenyl)methanesulfinate
CID 175536227
(3-chloro-4-fluorophenyl)methanesulfinic acid
CID 165449429
4-(5-chloropent-2-enyl)-2-fluoro-1-methoxybenzene
CID 79603773

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-5-bromopent-2-enyl]-2-chloro-1-fluorobenzene?
The IUPAC name of 4-[(E)-5-bromopent-2-enyl]-2-chloro-1-fluorobenzene (CID 103042216) is 4-[(E)-5-bromopent-2-enyl]-2-chloro-1-fluorobenzene.
What is the SMILES notation for 4-[(E)-5-bromopent-2-enyl]-2-chloro-1-fluorobenzene?
The canonical SMILES for 4-[(E)-5-bromopent-2-enyl]-2-chloro-1-fluorobenzene is Fc1ccc(C/C=C/CCBr)cc1Cl.
What is the InChIKey of 4-[(E)-5-bromopent-2-enyl]-2-chloro-1-fluorobenzene?
The InChIKey is JYDKDMYPWBUPQU-OWOJBTEDSA-N. The full InChI is InChI=1S/C11H11BrClF/c12-7-3-1-2-4-9-5-6-11(14)10(13)8-9/h1-2,5-6,8H,3-4,7H2/b2-1+.
What are the key properties of 4-[(E)-5-bromopent-2-enyl]-2-chloro-1-fluorobenzene?
4-[(E)-5-bromopent-2-enyl]-2-chloro-1-fluorobenzene has a molecular weight of 277.56 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-5-bromopent-2-enyl]-2-chloro-1-fluorobenzene is sourced from PubChem (CID 103042216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).