2,5-dibromo-3-(1-bromo-2-phenylcyclopropyl)thiophene

C13H9Br3S — CID 19894782

IUPAC2,5-dibromo-3-(1-bromo-2-phenylcyclopropyl)thiophene
SMILESBrc1cc(C2(Br)CC2c2ccccc2)c(Br)s1
InChIInChI=1S/C13H9Br3S/c14-11-6-9(12(15)17-11)13(16)7-10(13)8-4-2-1-3-5-8/h1-6,10H,7H2
InChIKeyUUAQCGIIFAAKHU-UHFFFAOYSA-N
MW436.99 g/mol
LogP6.05
Rot. Bonds2

About 2,5-dibromo-3-(1-bromo-2-phenylcyclopropyl)thiophene

2,5-dibromo-3-(1-bromo-2-phenylcyclopropyl)thiophene (PubChem CID 19894782) has the molecular formula C13H9Br3S and a molecular weight of 436.99 g/mol. Its IUPAC name is 2,5-dibromo-3-(1-bromo-2-phenylcyclopropyl)thiophene.

Molecular Properties

Compound Name2,5-dibromo-3-(1-bromo-2-phenylcyclopropyl)thiophene
PubChem CID19894782
Molecular FormulaC13H9Br3S
Molecular Weight436.99 g/mol
Exact Mass433.80
IUPAC Name2,5-dibromo-3-(1-bromo-2-phenylcyclopropyl)thiophene
SMILESBrc1cc(C2(Br)CC2c2ccccc2)c(Br)s1
InChIInChI=1S/C13H9Br3S/c14-11-6-9(12(15)17-11)13(16)7-10(13)8-4-2-1-3-5-8/h1-6,10H,7H2
InChIKeyUUAQCGIIFAAKHU-UHFFFAOYSA-N
XLogP6.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.99
LogP ≤ 56.05
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

2,5-Bis(4-bromophenyl)thiophene
CID 268923
2,3-Dibromo-1-benzothiophene
CID 94977
2-bromo-5-[5-[(E)-2-(4-bromophenyl)ethenyl]thiophen-2-yl]thiophene
CID 53330122
2-(2-Bromophenyl)thiophene
CID 2795560
2-bromo-5-[5-[(E)-2-phenylethenyl]thiophen-2-yl]thiophene
CID 46850583
2-Bromo-5-phenylthiophene
CID 2776313
2-Bromo-4,5,6,7-tetrahydrobenzo(b)thiophene
CID 15469097
3-Bromo-2-(bromomethyl)-1-benzothiophene
CID 816734
3-(4-(Bromomethyl)phenyl)thiophene
CID 13773538
2-Bromo-3-(bromomethyl)-1-benzothiophene
CID 85703076
3-Bromo-2,4-dimethyl-5-phenylthiophene
CID 44629772
2-Bromo-5-(4-fluorophenyl)thiophene
CID 53415899

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-3-(1-bromo-2-phenylcyclopropyl)thiophene?
The IUPAC name of 2,5-dibromo-3-(1-bromo-2-phenylcyclopropyl)thiophene (CID 19894782) is 2,5-dibromo-3-(1-bromo-2-phenylcyclopropyl)thiophene.
What is the SMILES notation for 2,5-dibromo-3-(1-bromo-2-phenylcyclopropyl)thiophene?
The canonical SMILES for 2,5-dibromo-3-(1-bromo-2-phenylcyclopropyl)thiophene is Brc1cc(C2(Br)CC2c2ccccc2)c(Br)s1.
What is the InChIKey of 2,5-dibromo-3-(1-bromo-2-phenylcyclopropyl)thiophene?
The InChIKey is UUAQCGIIFAAKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br3S/c14-11-6-9(12(15)17-11)13(16)7-10(13)8-4-2-1-3-5-8/h1-6,10H,7H2.
What are the key properties of 2,5-dibromo-3-(1-bromo-2-phenylcyclopropyl)thiophene?
2,5-dibromo-3-(1-bromo-2-phenylcyclopropyl)thiophene has a molecular weight of 436.99 g/mol, XLogP of 6.05, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-3-(1-bromo-2-phenylcyclopropyl)thiophene is sourced from PubChem (CID 19894782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).