2-[bromo-(4-bromophenyl)methyl]-3-fluorothiophene

C11H7Br2FS — CID 130594330

IUPAC2-[bromo-(4-bromophenyl)methyl]-3-fluorothiophene
SMILESFc1ccsc1C(Br)c1ccc(Br)cc1
InChIInChI=1S/C11H7Br2FS/c12-8-3-1-7(2-4-8)10(13)11-9(14)5-6-15-11/h1-6,10H
InChIKeyWFKBPENONUMWSL-UHFFFAOYSA-N
MW350.05 g/mol
LogP5.13
Rot. Bonds2

About 2-[bromo-(4-bromophenyl)methyl]-3-fluorothiophene

2-[bromo-(4-bromophenyl)methyl]-3-fluorothiophene (PubChem CID 130594330) has the molecular formula C11H7Br2FS and a molecular weight of 350.05 g/mol. Its IUPAC name is 2-[bromo-(4-bromophenyl)methyl]-3-fluorothiophene.

Molecular Properties

Compound Name2-[bromo-(4-bromophenyl)methyl]-3-fluorothiophene
PubChem CID130594330
Molecular FormulaC11H7Br2FS
Molecular Weight350.05 g/mol
Exact Mass347.86
IUPAC Name2-[bromo-(4-bromophenyl)methyl]-3-fluorothiophene
SMILESFc1ccsc1C(Br)c1ccc(Br)cc1
InChIInChI=1S/C11H7Br2FS/c12-8-3-1-7(2-4-8)10(13)11-9(14)5-6-15-11/h1-6,10H
InChIKeyWFKBPENONUMWSL-UHFFFAOYSA-N
XLogP5.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.05
LogP ≤ 55.13
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 2-[bromo-(4-bromophenyl)methyl]-3-fluorothiophene?
The IUPAC name of 2-[bromo-(4-bromophenyl)methyl]-3-fluorothiophene (CID 130594330) is 2-[bromo-(4-bromophenyl)methyl]-3-fluorothiophene.
What is the SMILES notation for 2-[bromo-(4-bromophenyl)methyl]-3-fluorothiophene?
The canonical SMILES for 2-[bromo-(4-bromophenyl)methyl]-3-fluorothiophene is Fc1ccsc1C(Br)c1ccc(Br)cc1.
What is the InChIKey of 2-[bromo-(4-bromophenyl)methyl]-3-fluorothiophene?
The InChIKey is WFKBPENONUMWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Br2FS/c12-8-3-1-7(2-4-8)10(13)11-9(14)5-6-15-11/h1-6,10H.
What are the key properties of 2-[bromo-(4-bromophenyl)methyl]-3-fluorothiophene?
2-[bromo-(4-bromophenyl)methyl]-3-fluorothiophene has a molecular weight of 350.05 g/mol, XLogP of 5.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bromo-(4-bromophenyl)methyl]-3-fluorothiophene is sourced from PubChem (CID 130594330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).