1-bromo-4-(3-bromoprop-1-enyl)-2-(trifluoromethyl)benzene

C10H7Br2F3 — CID 169476528

IUPAC1-bromo-4-(3-bromoprop-1-enyl)-2-(trifluoromethyl)benzene
SMILESFC(F)(F)c1cc(C=CCBr)ccc1Br
InChIInChI=1S/C10H7Br2F3/c11-5-1-2-7-3-4-9(12)8(6-7)10(13,14)15/h1-4,6H,5H2
InChIKeyFZWSARKUNMIHJB-UHFFFAOYSA-N
MW343.97 g/mol
LogP4.88
Rot. Bonds2

About 1-bromo-4-(3-bromoprop-1-enyl)-2-(trifluoromethyl)benzene

1-bromo-4-(3-bromoprop-1-enyl)-2-(trifluoromethyl)benzene (PubChem CID 169476528) has the molecular formula C10H7Br2F3 and a molecular weight of 343.97 g/mol. Its IUPAC name is 1-bromo-4-(3-bromoprop-1-enyl)-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-bromo-4-(3-bromoprop-1-enyl)-2-(trifluoromethyl)benzene
PubChem CID169476528
Molecular FormulaC10H7Br2F3
Molecular Weight343.97 g/mol
Exact Mass341.89
IUPAC Name1-bromo-4-(3-bromoprop-1-enyl)-2-(trifluoromethyl)benzene
SMILESFC(F)(F)c1cc(C=CCBr)ccc1Br
InChIInChI=1S/C10H7Br2F3/c11-5-1-2-7-3-4-9(12)8(6-7)10(13,14)15/h1-4,6H,5H2
InChIKeyFZWSARKUNMIHJB-UHFFFAOYSA-N
XLogP4.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.97
LogP ≤ 54.88
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-bromo-4-(3-bromoprop-1-enyl)-2-(trifluoromethyl)benzene?
The IUPAC name of 1-bromo-4-(3-bromoprop-1-enyl)-2-(trifluoromethyl)benzene (CID 169476528) is 1-bromo-4-(3-bromoprop-1-enyl)-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1-bromo-4-(3-bromoprop-1-enyl)-2-(trifluoromethyl)benzene?
The canonical SMILES for 1-bromo-4-(3-bromoprop-1-enyl)-2-(trifluoromethyl)benzene is FC(F)(F)c1cc(C=CCBr)ccc1Br.
What is the InChIKey of 1-bromo-4-(3-bromoprop-1-enyl)-2-(trifluoromethyl)benzene?
The InChIKey is FZWSARKUNMIHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Br2F3/c11-5-1-2-7-3-4-9(12)8(6-7)10(13,14)15/h1-4,6H,5H2.
What are the key properties of 1-bromo-4-(3-bromoprop-1-enyl)-2-(trifluoromethyl)benzene?
1-bromo-4-(3-bromoprop-1-enyl)-2-(trifluoromethyl)benzene has a molecular weight of 343.97 g/mol, XLogP of 4.88, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(3-bromoprop-1-enyl)-2-(trifluoromethyl)benzene is sourced from PubChem (CID 169476528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).