4-[(Z)-5-bromo-2-methylpent-2-enyl]-1,2-difluorobenzene

C12H13BrF2 — CID 82934801

IUPAC4-[(Z)-5-bromo-2-methylpent-2-enyl]-1,2-difluorobenzene
SMILESC/C(=C/CCBr)Cc1ccc(F)c(F)c1
InChIInChI=1S/C12H13BrF2/c1-9(3-2-6-13)7-10-4-5-11(14)12(15)8-10/h3-5,8H,2,6-7H2,1H3/b9-3-
InChIKeyWACOABJTTOUGED-OQFOIZHKSA-N
MW275.14 g/mol
LogP4.24
Rot. Bonds4

About 4-[(Z)-5-bromo-2-methylpent-2-enyl]-1,2-difluorobenzene

4-[(Z)-5-bromo-2-methylpent-2-enyl]-1,2-difluorobenzene (PubChem CID 82934801) has the molecular formula C12H13BrF2 and a molecular weight of 275.14 g/mol. Its IUPAC name is 4-[(Z)-5-bromo-2-methylpent-2-enyl]-1,2-difluorobenzene.

Molecular Properties

Compound Name4-[(Z)-5-bromo-2-methylpent-2-enyl]-1,2-difluorobenzene
PubChem CID82934801
Molecular FormulaC12H13BrF2
Molecular Weight275.14 g/mol
Exact Mass274.02
IUPAC Name4-[(Z)-5-bromo-2-methylpent-2-enyl]-1,2-difluorobenzene
SMILESC/C(=C/CCBr)Cc1ccc(F)c(F)c1
InChIInChI=1S/C12H13BrF2/c1-9(3-2-6-13)7-10-4-5-11(14)12(15)8-10/h3-5,8H,2,6-7H2,1H3/b9-3-
InChIKeyWACOABJTTOUGED-OQFOIZHKSA-N
XLogP4.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.14
LogP ≤ 54.24
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'}

Analyze 4-[(Z)-5-bromo-2-methylpent-2-enyl]-1,2-difluorobenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-5-bromo-2-methylpent-2-enyl]-1,2-difluorobenzene?
The IUPAC name of 4-[(Z)-5-bromo-2-methylpent-2-enyl]-1,2-difluorobenzene (CID 82934801) is 4-[(Z)-5-bromo-2-methylpent-2-enyl]-1,2-difluorobenzene.
What is the SMILES notation for 4-[(Z)-5-bromo-2-methylpent-2-enyl]-1,2-difluorobenzene?
The canonical SMILES for 4-[(Z)-5-bromo-2-methylpent-2-enyl]-1,2-difluorobenzene is C/C(=C/CCBr)Cc1ccc(F)c(F)c1.
What is the InChIKey of 4-[(Z)-5-bromo-2-methylpent-2-enyl]-1,2-difluorobenzene?
The InChIKey is WACOABJTTOUGED-OQFOIZHKSA-N. The full InChI is InChI=1S/C12H13BrF2/c1-9(3-2-6-13)7-10-4-5-11(14)12(15)8-10/h3-5,8H,2,6-7H2,1H3/b9-3-.
What are the key properties of 4-[(Z)-5-bromo-2-methylpent-2-enyl]-1,2-difluorobenzene?
4-[(Z)-5-bromo-2-methylpent-2-enyl]-1,2-difluorobenzene has a molecular weight of 275.14 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-5-bromo-2-methylpent-2-enyl]-1,2-difluorobenzene is sourced from PubChem (CID 82934801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).