1-bromo-3-(3-bromoprop-1-enyl)-5-(trifluoromethoxy)benzene

C10H7Br2F3O — CID 169476648

IUPAC1-bromo-3-(3-bromoprop-1-enyl)-5-(trifluoromethoxy)benzene
SMILESFC(F)(F)Oc1cc(Br)cc(C=CCBr)c1
InChIInChI=1S/C10H7Br2F3O/c11-3-1-2-7-4-8(12)6-9(5-7)16-10(13,14)15/h1-2,4-6H,3H2
InChIKeyWRORVCWCDKHGEI-UHFFFAOYSA-N
MW359.97 g/mol
LogP4.76
Rot. Bonds3

About 1-bromo-3-(3-bromoprop-1-enyl)-5-(trifluoromethoxy)benzene

1-bromo-3-(3-bromoprop-1-enyl)-5-(trifluoromethoxy)benzene (PubChem CID 169476648) has the molecular formula C10H7Br2F3O and a molecular weight of 359.97 g/mol. Its IUPAC name is 1-bromo-3-(3-bromoprop-1-enyl)-5-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1-bromo-3-(3-bromoprop-1-enyl)-5-(trifluoromethoxy)benzene
PubChem CID169476648
Molecular FormulaC10H7Br2F3O
Molecular Weight359.97 g/mol
Exact Mass357.88
IUPAC Name1-bromo-3-(3-bromoprop-1-enyl)-5-(trifluoromethoxy)benzene
SMILESFC(F)(F)Oc1cc(Br)cc(C=CCBr)c1
InChIInChI=1S/C10H7Br2F3O/c11-3-1-2-7-4-8(12)6-9(5-7)16-10(13,14)15/h1-2,4-6H,3H2
InChIKeyWRORVCWCDKHGEI-UHFFFAOYSA-N
XLogP4.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.97
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-3-(3-bromoprop-1-enyl)-5-(trifluoromethoxy)benzene?
The IUPAC name of 1-bromo-3-(3-bromoprop-1-enyl)-5-(trifluoromethoxy)benzene (CID 169476648) is 1-bromo-3-(3-bromoprop-1-enyl)-5-(trifluoromethoxy)benzene.
What is the SMILES notation for 1-bromo-3-(3-bromoprop-1-enyl)-5-(trifluoromethoxy)benzene?
The canonical SMILES for 1-bromo-3-(3-bromoprop-1-enyl)-5-(trifluoromethoxy)benzene is FC(F)(F)Oc1cc(Br)cc(C=CCBr)c1.
What is the InChIKey of 1-bromo-3-(3-bromoprop-1-enyl)-5-(trifluoromethoxy)benzene?
The InChIKey is WRORVCWCDKHGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Br2F3O/c11-3-1-2-7-4-8(12)6-9(5-7)16-10(13,14)15/h1-2,4-6H,3H2.
What are the key properties of 1-bromo-3-(3-bromoprop-1-enyl)-5-(trifluoromethoxy)benzene?
1-bromo-3-(3-bromoprop-1-enyl)-5-(trifluoromethoxy)benzene has a molecular weight of 359.97 g/mol, XLogP of 4.76, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(3-bromoprop-1-enyl)-5-(trifluoromethoxy)benzene is sourced from PubChem (CID 169476648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).