1-[(Z)-3-bromo-2-methylprop-1-enyl]-4-chloro-2-fluorobenzene

C10H9BrClF — CID 114867400

IUPAC1-[(Z)-3-bromo-2-methylprop-1-enyl]-4-chloro-2-fluorobenzene
SMILESC/C(=C/c1ccc(Cl)cc1F)CBr
InChIInChI=1S/C10H9BrClF/c1-7(6-11)4-8-2-3-9(12)5-10(8)13/h2-5H,6H2,1H3/b7-4-
InChIKeyUOGMRRPWNWXJLQ-DAXSKMNVSA-N
MW263.54 g/mol
LogP4.28
Rot. Bonds2

About 1-[(Z)-3-bromo-2-methylprop-1-enyl]-4-chloro-2-fluorobenzene

1-[(Z)-3-bromo-2-methylprop-1-enyl]-4-chloro-2-fluorobenzene (PubChem CID 114867400) has the molecular formula C10H9BrClF and a molecular weight of 263.54 g/mol. Its IUPAC name is 1-[(Z)-3-bromo-2-methylprop-1-enyl]-4-chloro-2-fluorobenzene.

Molecular Properties

Compound Name1-[(Z)-3-bromo-2-methylprop-1-enyl]-4-chloro-2-fluorobenzene
PubChem CID114867400
Molecular FormulaC10H9BrClF
Molecular Weight263.54 g/mol
Exact Mass261.96
IUPAC Name1-[(Z)-3-bromo-2-methylprop-1-enyl]-4-chloro-2-fluorobenzene
SMILESC/C(=C/c1ccc(Cl)cc1F)CBr
InChIInChI=1S/C10H9BrClF/c1-7(6-11)4-8-2-3-9(12)5-10(8)13/h2-5H,6H2,1H3/b7-4-
InChIKeyUOGMRRPWNWXJLQ-DAXSKMNVSA-N
XLogP4.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.54
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-3-bromo-2-methylprop-1-enyl]-4-chloro-2-fluorobenzene?
The IUPAC name of 1-[(Z)-3-bromo-2-methylprop-1-enyl]-4-chloro-2-fluorobenzene (CID 114867400) is 1-[(Z)-3-bromo-2-methylprop-1-enyl]-4-chloro-2-fluorobenzene.
What is the SMILES notation for 1-[(Z)-3-bromo-2-methylprop-1-enyl]-4-chloro-2-fluorobenzene?
The canonical SMILES for 1-[(Z)-3-bromo-2-methylprop-1-enyl]-4-chloro-2-fluorobenzene is C/C(=C/c1ccc(Cl)cc1F)CBr.
What is the InChIKey of 1-[(Z)-3-bromo-2-methylprop-1-enyl]-4-chloro-2-fluorobenzene?
The InChIKey is UOGMRRPWNWXJLQ-DAXSKMNVSA-N. The full InChI is InChI=1S/C10H9BrClF/c1-7(6-11)4-8-2-3-9(12)5-10(8)13/h2-5H,6H2,1H3/b7-4-.
What are the key properties of 1-[(Z)-3-bromo-2-methylprop-1-enyl]-4-chloro-2-fluorobenzene?
1-[(Z)-3-bromo-2-methylprop-1-enyl]-4-chloro-2-fluorobenzene has a molecular weight of 263.54 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-3-bromo-2-methylprop-1-enyl]-4-chloro-2-fluorobenzene is sourced from PubChem (CID 114867400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).