1-bromo-4-[(Z)-5-bromopent-2-en-2-yl]-2-chloro-3-fluorobenzene

C11H10Br2ClF — CID 106763763

IUPAC1-bromo-4-[(Z)-5-bromopent-2-en-2-yl]-2-chloro-3-fluorobenzene
SMILESC/C(=C/CCBr)c1ccc(Br)c(Cl)c1F
InChIInChI=1S/C11H10Br2ClF/c1-7(3-2-6-12)8-4-5-9(13)10(14)11(8)15/h3-5H,2,6H2,1H3/b7-3-
InChIKeyCLSDKDJHZDUHPU-CLTKARDFSA-N
MW356.46 g/mol
LogP5.43
Rot. Bonds3

About 1-bromo-4-[(Z)-5-bromopent-2-en-2-yl]-2-chloro-3-fluorobenzene

1-bromo-4-[(Z)-5-bromopent-2-en-2-yl]-2-chloro-3-fluorobenzene (PubChem CID 106763763) has the molecular formula C11H10Br2ClF and a molecular weight of 356.46 g/mol. Its IUPAC name is 1-bromo-4-[(Z)-5-bromopent-2-en-2-yl]-2-chloro-3-fluorobenzene.

Molecular Properties

Compound Name1-bromo-4-[(Z)-5-bromopent-2-en-2-yl]-2-chloro-3-fluorobenzene
PubChem CID106763763
Molecular FormulaC11H10Br2ClF
Molecular Weight356.46 g/mol
Exact Mass353.88
IUPAC Name1-bromo-4-[(Z)-5-bromopent-2-en-2-yl]-2-chloro-3-fluorobenzene
SMILESC/C(=C/CCBr)c1ccc(Br)c(Cl)c1F
InChIInChI=1S/C11H10Br2ClF/c1-7(3-2-6-12)8-4-5-9(13)10(14)11(8)15/h3-5H,2,6H2,1H3/b7-3-
InChIKeyCLSDKDJHZDUHPU-CLTKARDFSA-N
XLogP5.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.46
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(Z)-4-(4-bromo-3-chloro-2-fluorophenyl)-N-propan-2-ylpent-3-en-1-amine
CID 106763774
(E)-1-(4-bromo-3-chloro-2-fluorophenyl)pent-2-en-1-one
CID 106761967
1-(4-bromo-3-chloro-2-fluorophenyl)-3-(methylamino)propan-1-one
CID 106763954
1-(4-bromo-3-chloro-2-fluorophenyl)decan-1-one
CID 106764158
1-(4-bromo-3-chloro-2-fluorophenyl)-4,4,4-trifluorobutan-1-one
CID 106761854
2-(aminomethyl)-1-(4-bromo-3-chloro-2-fluorophenyl)butan-1-one
CID 106763995
2-amino-1-(4-bromo-3-chloro-2-fluorophenyl)pentan-1-one
CID 106763933
(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-5-methylphenyl)methanone
CID 106764260
2-(aminomethyl)-1-(4-bromo-3-chloro-2-fluorophenyl)-2-methylbutan-1-one
CID 106764103
1-(4-bromo-3-chloro-2-fluorophenyl)-2-(3,5-difluorophenyl)ethanone
CID 106761722
[4-(aminomethyl)phenyl]-(4-bromo-3-chloro-2-fluorophenyl)methanone
CID 106763911
(4-bromo-3-chloro-2-fluorophenyl)-pyridin-4-ylmethanone
CID 106761695

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[(Z)-5-bromopent-2-en-2-yl]-2-chloro-3-fluorobenzene?
The IUPAC name of 1-bromo-4-[(Z)-5-bromopent-2-en-2-yl]-2-chloro-3-fluorobenzene (CID 106763763) is 1-bromo-4-[(Z)-5-bromopent-2-en-2-yl]-2-chloro-3-fluorobenzene.
What is the SMILES notation for 1-bromo-4-[(Z)-5-bromopent-2-en-2-yl]-2-chloro-3-fluorobenzene?
The canonical SMILES for 1-bromo-4-[(Z)-5-bromopent-2-en-2-yl]-2-chloro-3-fluorobenzene is C/C(=C/CCBr)c1ccc(Br)c(Cl)c1F.
What is the InChIKey of 1-bromo-4-[(Z)-5-bromopent-2-en-2-yl]-2-chloro-3-fluorobenzene?
The InChIKey is CLSDKDJHZDUHPU-CLTKARDFSA-N. The full InChI is InChI=1S/C11H10Br2ClF/c1-7(3-2-6-12)8-4-5-9(13)10(14)11(8)15/h3-5H,2,6H2,1H3/b7-3-.
What are the key properties of 1-bromo-4-[(Z)-5-bromopent-2-en-2-yl]-2-chloro-3-fluorobenzene?
1-bromo-4-[(Z)-5-bromopent-2-en-2-yl]-2-chloro-3-fluorobenzene has a molecular weight of 356.46 g/mol, XLogP of 5.43, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[(Z)-5-bromopent-2-en-2-yl]-2-chloro-3-fluorobenzene is sourced from PubChem (CID 106763763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).