2-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]-3-chlorothiophene

C12H16BrClS — CID 80530641

IUPAC2-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]-3-chlorothiophene
SMILESCC1(C)C(C(Br)c2sccc2Cl)C1(C)C
InChIInChI=1S/C12H16BrClS/c1-11(2)10(12(11,3)4)8(13)9-7(14)5-6-15-9/h5-6,8,10H,1-4H3
InChIKeyRYWYQMXQTFEEJL-UHFFFAOYSA-N
MW307.68 g/mol
LogP5.52
Rot. Bonds2

About 2-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]-3-chlorothiophene

2-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]-3-chlorothiophene (PubChem CID 80530641) has the molecular formula C12H16BrClS and a molecular weight of 307.68 g/mol. Its IUPAC name is 2-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]-3-chlorothiophene.

Molecular Properties

Compound Name2-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]-3-chlorothiophene
PubChem CID80530641
Molecular FormulaC12H16BrClS
Molecular Weight307.68 g/mol
Exact Mass305.98
IUPAC Name2-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]-3-chlorothiophene
SMILESCC1(C)C(C(Br)c2sccc2Cl)C1(C)C
InChIInChI=1S/C12H16BrClS/c1-11(2)10(12(11,3)4)8(13)9-7(14)5-6-15-9/h5-6,8,10H,1-4H3
InChIKeyRYWYQMXQTFEEJL-UHFFFAOYSA-N
XLogP5.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.68
LogP ≤ 55.52
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-2-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]thiophene
CID 80537266
2-(1-bromo-4-methylpentyl)-3-chlorothiophene
CID 80530517
2-[bromo-(3-chlorothiophen-2-yl)methyl]oxane
CID 80531717
2-(1-bromoheptyl)-3-chlorothiophene
CID 114753686
2-[bromo-(3-methyl-1-adamantyl)methyl]-3-chlorothiophene
CID 113402769
2-[2-(1-adamantyl)-1-bromoethyl]-3-chlorothiophene
CID 80531682
(3-chlorothiophen-2-yl)-(4,4-dimethylcyclohexyl)methanol
CID 107359543
2-[bromo-(5-bromo-2-methylphenyl)methyl]-3-chlorothiophene
CID 80531892
bis(3-chlorothiophen-2-yl)methanol
CID 80642135
2-[bromo-(3,5-dimethylphenyl)methyl]-3-chlorothiophene
CID 80530329
2-bromo-5-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]-3-chlorothiophene
CID 80533486
2-[1-bromo-2-(1-methoxycyclobutyl)ethyl]-3-chlorothiophene
CID 103557841

Frequently Asked Questions

What is the IUPAC name of 2-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]-3-chlorothiophene?
The IUPAC name of 2-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]-3-chlorothiophene (CID 80530641) is 2-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]-3-chlorothiophene.
What is the SMILES notation for 2-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]-3-chlorothiophene?
The canonical SMILES for 2-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]-3-chlorothiophene is CC1(C)C(C(Br)c2sccc2Cl)C1(C)C.
What is the InChIKey of 2-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]-3-chlorothiophene?
The InChIKey is RYWYQMXQTFEEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrClS/c1-11(2)10(12(11,3)4)8(13)9-7(14)5-6-15-9/h5-6,8,10H,1-4H3.
What are the key properties of 2-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]-3-chlorothiophene?
2-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]-3-chlorothiophene has a molecular weight of 307.68 g/mol, XLogP of 5.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]-3-chlorothiophene is sourced from PubChem (CID 80530641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).