3-bromo-5-[bromo-(4-bromo-2-fluorophenyl)methyl]-2-chlorothiophene

C11H5Br3ClFS — CID 102836918

IUPAC3-bromo-5-[bromo-(4-bromo-2-fluorophenyl)methyl]-2-chlorothiophene
SMILESFc1cc(Br)ccc1C(Br)c1cc(Br)c(Cl)s1
InChIInChI=1S/C11H5Br3ClFS/c12-5-1-2-6(8(16)3-5)10(14)9-4-7(13)11(15)17-9/h1-4,10H
InChIKeyQBDNNKBIJIQJAH-UHFFFAOYSA-N
MW463.39 g/mol
LogP6.55
Rot. Bonds2

About 3-bromo-5-[bromo-(4-bromo-2-fluorophenyl)methyl]-2-chlorothiophene

3-bromo-5-[bromo-(4-bromo-2-fluorophenyl)methyl]-2-chlorothiophene (PubChem CID 102836918) has the molecular formula C11H5Br3ClFS and a molecular weight of 463.39 g/mol. Its IUPAC name is 3-bromo-5-[bromo-(4-bromo-2-fluorophenyl)methyl]-2-chlorothiophene.

Molecular Properties

Compound Name3-bromo-5-[bromo-(4-bromo-2-fluorophenyl)methyl]-2-chlorothiophene
PubChem CID102836918
Molecular FormulaC11H5Br3ClFS
Molecular Weight463.39 g/mol
Exact Mass459.73
IUPAC Name3-bromo-5-[bromo-(4-bromo-2-fluorophenyl)methyl]-2-chlorothiophene
SMILESFc1cc(Br)ccc1C(Br)c1cc(Br)c(Cl)s1
InChIInChI=1S/C11H5Br3ClFS/c12-5-1-2-6(8(16)3-5)10(14)9-4-7(13)11(15)17-9/h1-4,10H
InChIKeyQBDNNKBIJIQJAH-UHFFFAOYSA-N
XLogP6.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.39
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-bromo-5-[bromo-(2,3,4-trifluorophenyl)methyl]-2-chlorothiophene
CID 102836767
3-bromo-5-[bromo-(4-bromo-2-fluorophenyl)methyl]-2-methylthiophene
CID 102835926
3-bromo-5-[bromo-(2-bromo-4-methylphenyl)methyl]-2-chlorothiophene
CID 102836721
2-bromo-3-[bromo-(4-bromo-5-chlorothiophen-2-yl)methyl]furan
CID 106855734
4-bromo-1-[bromo-(4-chlorophenyl)methyl]-2-fluorobenzene
CID 63437201
3-bromo-5-[bromo-(3-bromophenyl)methyl]-2-chlorothiophene
CID 102836839
2,3-dibromo-5-[bromo-(2-fluoro-4-methylphenyl)methyl]thiophene
CID 80534660
3-bromo-5-[bromo-(2-fluoro-4-methylphenyl)methyl]-2-methylthiophene
CID 102835836
2-bromo-5-[bromo-(2,4-difluorophenyl)methyl]-3-chlorothiophene
CID 80533517
2,3-dibromo-5-[bromo-(4-bromo-5-chlorothiophen-2-yl)methyl]thiophene
CID 102836981
5-[bromo-(4-bromo-2-methylphenyl)methyl]-2-chloro-3-methylthiophene
CID 102764936
(4-bromo-5-chlorothiophen-2-yl)-(2,3,4-trifluorophenyl)methanamine
CID 102828028

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[bromo-(4-bromo-2-fluorophenyl)methyl]-2-chlorothiophene?
The IUPAC name of 3-bromo-5-[bromo-(4-bromo-2-fluorophenyl)methyl]-2-chlorothiophene (CID 102836918) is 3-bromo-5-[bromo-(4-bromo-2-fluorophenyl)methyl]-2-chlorothiophene.
What is the SMILES notation for 3-bromo-5-[bromo-(4-bromo-2-fluorophenyl)methyl]-2-chlorothiophene?
The canonical SMILES for 3-bromo-5-[bromo-(4-bromo-2-fluorophenyl)methyl]-2-chlorothiophene is Fc1cc(Br)ccc1C(Br)c1cc(Br)c(Cl)s1.
What is the InChIKey of 3-bromo-5-[bromo-(4-bromo-2-fluorophenyl)methyl]-2-chlorothiophene?
The InChIKey is QBDNNKBIJIQJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Br3ClFS/c12-5-1-2-6(8(16)3-5)10(14)9-4-7(13)11(15)17-9/h1-4,10H.
What are the key properties of 3-bromo-5-[bromo-(4-bromo-2-fluorophenyl)methyl]-2-chlorothiophene?
3-bromo-5-[bromo-(4-bromo-2-fluorophenyl)methyl]-2-chlorothiophene has a molecular weight of 463.39 g/mol, XLogP of 6.55, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[bromo-(4-bromo-2-fluorophenyl)methyl]-2-chlorothiophene is sourced from PubChem (CID 102836918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).