3-bromo-5-(1-bromo-2,2-difluoroethyl)-2-chlorothiophene

C6H3Br2ClF2S — CID 103514684

IUPAC3-bromo-5-(1-bromo-2,2-difluoroethyl)-2-chlorothiophene
SMILESFC(F)C(Br)c1cc(Br)c(Cl)s1
InChIInChI=1S/C6H3Br2ClF2S/c7-2-1-3(12-5(2)9)4(8)6(10)11/h1,4,6H
InChIKeyJJSRJKLGQOROKN-UHFFFAOYSA-N
MW340.41 g/mol
LogP4.87
Rot. Bonds2

About 3-bromo-5-(1-bromo-2,2-difluoroethyl)-2-chlorothiophene

3-bromo-5-(1-bromo-2,2-difluoroethyl)-2-chlorothiophene (PubChem CID 103514684) has the molecular formula C6H3Br2ClF2S and a molecular weight of 340.41 g/mol. Its IUPAC name is 3-bromo-5-(1-bromo-2,2-difluoroethyl)-2-chlorothiophene.

Molecular Properties

Compound Name3-bromo-5-(1-bromo-2,2-difluoroethyl)-2-chlorothiophene
PubChem CID103514684
Molecular FormulaC6H3Br2ClF2S
Molecular Weight340.41 g/mol
Exact Mass337.80
IUPAC Name3-bromo-5-(1-bromo-2,2-difluoroethyl)-2-chlorothiophene
SMILESFC(F)C(Br)c1cc(Br)c(Cl)s1
InChIInChI=1S/C6H3Br2ClF2S/c7-2-1-3(12-5(2)9)4(8)6(10)11/h1,4,6H
InChIKeyJJSRJKLGQOROKN-UHFFFAOYSA-N
XLogP4.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 54.87
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-(1-bromo-2,2-difluoroethyl)-2-methylthiophene
CID 103514682
2,3-dibromo-5-[bromo-(4-bromo-5-chlorothiophen-2-yl)methyl]thiophene
CID 102836981
3-bromo-5-(1-bromo-2,2-dimethylpropyl)-2-chlorothiophene
CID 102837073
1-(4-bromo-5-chlorothiophen-2-yl)-2,2,3,3-tetrafluoropropan-1-amine
CID 102828109
3-bromo-2-chloro-5-(1-chloro-2,2-difluoropropyl)thiophene
CID 130605196
3-bromo-5-[bromo-(4-bromo-2-fluorophenyl)methyl]-2-chlorothiophene
CID 102836918
3-bromo-5-[bromo-(2,6-dichlorophenyl)methyl]-2-chlorothiophene
CID 102836792
1-(4-bromo-5-chlorothiophen-2-yl)-N-methylethanamine
CID 102828282
2-(4-bromo-5-chlorothiophen-2-yl)-2-chloroacetonitrile
CID 102843698
3-bromo-5-[bromo-(2,3,4-trifluorophenyl)methyl]-2-chlorothiophene
CID 102836767
3-bromo-5-[bromo-(3-bromophenyl)methyl]-2-chlorothiophene
CID 102836839
3-bromo-5-[bromo(cyclooctyl)methyl]-2-chlorothiophene
CID 102836764

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(1-bromo-2,2-difluoroethyl)-2-chlorothiophene?
The IUPAC name of 3-bromo-5-(1-bromo-2,2-difluoroethyl)-2-chlorothiophene (CID 103514684) is 3-bromo-5-(1-bromo-2,2-difluoroethyl)-2-chlorothiophene.
What is the SMILES notation for 3-bromo-5-(1-bromo-2,2-difluoroethyl)-2-chlorothiophene?
The canonical SMILES for 3-bromo-5-(1-bromo-2,2-difluoroethyl)-2-chlorothiophene is FC(F)C(Br)c1cc(Br)c(Cl)s1.
What is the InChIKey of 3-bromo-5-(1-bromo-2,2-difluoroethyl)-2-chlorothiophene?
The InChIKey is JJSRJKLGQOROKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Br2ClF2S/c7-2-1-3(12-5(2)9)4(8)6(10)11/h1,4,6H.
What are the key properties of 3-bromo-5-(1-bromo-2,2-difluoroethyl)-2-chlorothiophene?
3-bromo-5-(1-bromo-2,2-difluoroethyl)-2-chlorothiophene has a molecular weight of 340.41 g/mol, XLogP of 4.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(1-bromo-2,2-difluoroethyl)-2-chlorothiophene is sourced from PubChem (CID 103514684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).