2-bromo-5-[1-bromo-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-3-chlorothiophene

C8H3Br2ClF6S — CID 103310769

IUPAC2-bromo-5-[1-bromo-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-3-chlorothiophene
SMILESFC(F)(F)C(C(Br)c1cc(Cl)c(Br)s1)C(F)(F)F
InChIInChI=1S/C8H3Br2ClF6S/c9-4(3-1-2(11)6(10)18-3)5(7(12,13)14)8(15,16)17/h1,4-5H
InChIKeyPSKJUPRLQQKHJE-UHFFFAOYSA-N
MW440.43 g/mol
LogP6.34
Rot. Bonds2

About 2-bromo-5-[1-bromo-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-3-chlorothiophene

2-bromo-5-[1-bromo-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-3-chlorothiophene (PubChem CID 103310769) has the molecular formula C8H3Br2ClF6S and a molecular weight of 440.43 g/mol. Its IUPAC name is 2-bromo-5-[1-bromo-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-3-chlorothiophene.

Molecular Properties

Compound Name2-bromo-5-[1-bromo-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-3-chlorothiophene
PubChem CID103310769
Molecular FormulaC8H3Br2ClF6S
Molecular Weight440.43 g/mol
Exact Mass437.79
IUPAC Name2-bromo-5-[1-bromo-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-3-chlorothiophene
SMILESFC(F)(F)C(C(Br)c1cc(Cl)c(Br)s1)C(F)(F)F
InChIInChI=1S/C8H3Br2ClF6S/c9-4(3-1-2(11)6(10)18-3)5(7(12,13)14)8(15,16)17/h1,4-5H
InChIKeyPSKJUPRLQQKHJE-UHFFFAOYSA-N
XLogP6.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.43
LogP ≤ 56.34
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

2-bromo-5-[1-bromo-3,3,3-trifluoro-2-(trifluoromethyl)propyl]thiophene
CID 103310733
1-(5-bromo-4-chlorothiophen-2-yl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine
CID 80530944
2-[bromo-(5-bromo-4-chlorothiophen-2-yl)methyl]-5-chlorofuran
CID 106689187
2-bromo-5-[bromo-(3-chloro-4-fluorophenyl)methyl]-3-chlorothiophene
CID 82879819
2-bromo-5-[bromo-(4-chloro-3-fluorophenyl)methyl]-3-chlorothiophene
CID 107992049
2-bromo-5-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]-3-chlorothiophene
CID 80533486
2-bromo-3-chloro-5-(1-chloropropyl)thiophene
CID 80533388
2-bromo-5-[bromo-(2,4-difluorophenyl)methyl]-3-chlorothiophene
CID 80533517
2-bromo-5-(1-bromo-2-cyclopropylethyl)-3-chlorothiophene
CID 80533267
2-bromo-5-[bromo-(2-bromo-6-fluorophenyl)methyl]-3-chlorothiophene
CID 114560717
(5-bromo-4-chlorothiophen-2-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 80530745
2-bromo-3-chloro-5-[chloro-(5-chlorothiophen-2-yl)methyl]thiophene
CID 80533343

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[1-bromo-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-3-chlorothiophene?
The IUPAC name of 2-bromo-5-[1-bromo-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-3-chlorothiophene (CID 103310769) is 2-bromo-5-[1-bromo-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-3-chlorothiophene.
What is the SMILES notation for 2-bromo-5-[1-bromo-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-3-chlorothiophene?
The canonical SMILES for 2-bromo-5-[1-bromo-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-3-chlorothiophene is FC(F)(F)C(C(Br)c1cc(Cl)c(Br)s1)C(F)(F)F.
What is the InChIKey of 2-bromo-5-[1-bromo-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-3-chlorothiophene?
The InChIKey is PSKJUPRLQQKHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3Br2ClF6S/c9-4(3-1-2(11)6(10)18-3)5(7(12,13)14)8(15,16)17/h1,4-5H.
What are the key properties of 2-bromo-5-[1-bromo-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-3-chlorothiophene?
2-bromo-5-[1-bromo-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-3-chlorothiophene has a molecular weight of 440.43 g/mol, XLogP of 6.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[1-bromo-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-3-chlorothiophene is sourced from PubChem (CID 103310769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).