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

C12H16Br2S — CID 80537266

IUPAC3-bromo-2-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]thiophene
SMILESCC1(C)C(C(Br)c2sccc2Br)C1(C)C
InChIInChI=1S/C12H16Br2S/c1-11(2)10(12(11,3)4)8(14)9-7(13)5-6-15-9/h5-6,8,10H,1-4H3
InChIKeySBTQEDLGOFDAJU-UHFFFAOYSA-N
MW352.14 g/mol
LogP5.63
Rot. Bonds2

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

3-bromo-2-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]thiophene (PubChem CID 80537266) has the molecular formula C12H16Br2S and a molecular weight of 352.14 g/mol. Its IUPAC name is 3-bromo-2-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]thiophene.

Molecular Properties

Compound Name3-bromo-2-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]thiophene
PubChem CID80537266
Molecular FormulaC12H16Br2S
Molecular Weight352.14 g/mol
Exact Mass349.93
IUPAC Name3-bromo-2-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]thiophene
SMILESCC1(C)C(C(Br)c2sccc2Br)C1(C)C
InChIInChI=1S/C12H16Br2S/c1-11(2)10(12(11,3)4)8(14)9-7(13)5-6-15-9/h5-6,8,10H,1-4H3
InChIKeySBTQEDLGOFDAJU-UHFFFAOYSA-N
XLogP5.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.14
LogP ≤ 55.63
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-(2,2,3,3-tetramethylcyclopropyl)methyl]-3-chlorothiophene
CID 80530641
(1S)-1-(3-bromothiophen-2-yl)-2-methylpropan-1-amine
CID 131098099
1,4-dibromo-2-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]benzene
CID 66476769
3-[bromo-(3-bromothiophen-2-yl)methyl]oxane
CID 80536906
3-bromo-2-[bromo-(2-methylsulfanylphenyl)methyl]thiophene
CID 80537224
3-[bromo-(3-bromothiophen-2-yl)methyl]-2,5-dimethylthiophene
CID 63797512
(1R)-1-(3-bromothiophen-2-yl)propan-1-ol
CID 82758861
3-bromo-2-[chloro-(2-methylcyclopropyl)methyl]thiophene
CID 80535825
3-bromo-2-[bromo-(2,4,6-trimethylphenyl)methyl]thiophene
CID 63796148
1-bromo-4-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]naphthalene
CID 79596807
3-bromo-2-(1-bromo-2-cyclopentylethyl)thiophene
CID 80536775
3-bromo-2-[bromo-(2-iodophenyl)methyl]thiophene
CID 80537168

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]thiophene?
The IUPAC name of 3-bromo-2-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]thiophene (CID 80537266) is 3-bromo-2-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]thiophene.
What is the SMILES notation for 3-bromo-2-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]thiophene?
The canonical SMILES for 3-bromo-2-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]thiophene is CC1(C)C(C(Br)c2sccc2Br)C1(C)C.
What is the InChIKey of 3-bromo-2-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]thiophene?
The InChIKey is SBTQEDLGOFDAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Br2S/c1-11(2)10(12(11,3)4)8(14)9-7(13)5-6-15-9/h5-6,8,10H,1-4H3.
What are the key properties of 3-bromo-2-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]thiophene?
3-bromo-2-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]thiophene has a molecular weight of 352.14 g/mol, XLogP of 5.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]thiophene is sourced from PubChem (CID 80537266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).