4-(bromomethyl)-1,2-difluorobenzene;5-bromo-2-methylpent-2-ene

C13H16Br2F2 — CID 67659277

IUPAC4-(bromomethyl)-1,2-difluorobenzene;5-bromo-2-methylpent-2-ene
SMILESCC(C)=CCCBr.Fc1ccc(CBr)cc1F
InChIInChI=1S/C7H5BrF2.C6H11Br/c8-4-5-1-2-6(9)7(10)3-5;1-6(2)4-3-5-7/h1-3H,4H2;4H,3,5H2,1-2H3
InChIKeyRBMPLMWUAMEMOO-UHFFFAOYSA-N
MW370.08 g/mol
LogP5.60
Rot. Bonds3

About 4-(bromomethyl)-1,2-difluorobenzene;5-bromo-2-methylpent-2-ene

4-(bromomethyl)-1,2-difluorobenzene;5-bromo-2-methylpent-2-ene (PubChem CID 67659277) has the molecular formula C13H16Br2F2 and a molecular weight of 370.08 g/mol. Its IUPAC name is 4-(bromomethyl)-1,2-difluorobenzene;5-bromo-2-methylpent-2-ene.

Molecular Properties

Compound Name4-(bromomethyl)-1,2-difluorobenzene;5-bromo-2-methylpent-2-ene
PubChem CID67659277
Molecular FormulaC13H16Br2F2
Molecular Weight370.08 g/mol
Exact Mass367.96
IUPAC Name4-(bromomethyl)-1,2-difluorobenzene;5-bromo-2-methylpent-2-ene
SMILESCC(C)=CCCBr.Fc1ccc(CBr)cc1F
InChIInChI=1S/C7H5BrF2.C6H11Br/c8-4-5-1-2-6(9)7(10)3-5;1-6(2)4-3-5-7/h1-3H,4H2;4H,3,5H2,1-2H3
InChIKeyRBMPLMWUAMEMOO-UHFFFAOYSA-N
XLogP5.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.08
LogP ≤ 55.60
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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Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-1,2-difluorobenzene;5-bromo-2-methylpent-2-ene?
The IUPAC name of 4-(bromomethyl)-1,2-difluorobenzene;5-bromo-2-methylpent-2-ene (CID 67659277) is 4-(bromomethyl)-1,2-difluorobenzene;5-bromo-2-methylpent-2-ene.
What is the SMILES notation for 4-(bromomethyl)-1,2-difluorobenzene;5-bromo-2-methylpent-2-ene?
The canonical SMILES for 4-(bromomethyl)-1,2-difluorobenzene;5-bromo-2-methylpent-2-ene is CC(C)=CCCBr.Fc1ccc(CBr)cc1F.
What is the InChIKey of 4-(bromomethyl)-1,2-difluorobenzene;5-bromo-2-methylpent-2-ene?
The InChIKey is RBMPLMWUAMEMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF2.C6H11Br/c8-4-5-1-2-6(9)7(10)3-5;1-6(2)4-3-5-7/h1-3H,4H2;4H,3,5H2,1-2H3.
What are the key properties of 4-(bromomethyl)-1,2-difluorobenzene;5-bromo-2-methylpent-2-ene?
4-(bromomethyl)-1,2-difluorobenzene;5-bromo-2-methylpent-2-ene has a molecular weight of 370.08 g/mol, XLogP of 5.60, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-1,2-difluorobenzene;5-bromo-2-methylpent-2-ene is sourced from PubChem (CID 67659277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).