2-bromo-5-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]-3-chlorothiophene

C12H15Br2ClS — CID 80533486

IUPAC2-bromo-5-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]-3-chlorothiophene
SMILESCC1(C)C(C(Br)c2cc(Cl)c(Br)s2)C1(C)C
InChIInChI=1S/C12H15Br2ClS/c1-11(2)9(12(11,3)4)8(13)7-5-6(15)10(14)16-7/h5,8-9H,1-4H3
InChIKeyVMTFQOZXWWKLDA-UHFFFAOYSA-N
MW386.58 g/mol
LogP6.28
Rot. Bonds2

About 2-bromo-5-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]-3-chlorothiophene

2-bromo-5-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]-3-chlorothiophene (PubChem CID 80533486) has the molecular formula C12H15Br2ClS and a molecular weight of 386.58 g/mol. Its IUPAC name is 2-bromo-5-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]-3-chlorothiophene.

Molecular Properties

Compound Name2-bromo-5-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]-3-chlorothiophene
PubChem CID80533486
Molecular FormulaC12H15Br2ClS
Molecular Weight386.58 g/mol
Exact Mass383.89
IUPAC Name2-bromo-5-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]-3-chlorothiophene
SMILESCC1(C)C(C(Br)c2cc(Cl)c(Br)s2)C1(C)C
InChIInChI=1S/C12H15Br2ClS/c1-11(2)9(12(11,3)4)8(13)7-5-6(15)10(14)16-7/h5,8-9H,1-4H3
InChIKeyVMTFQOZXWWKLDA-UHFFFAOYSA-N
XLogP6.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.58
LogP ≤ 56.28
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

(5-bromo-4-chlorothiophen-2-yl)-(2,2-dimethylcyclopropyl)methanol
CID 107002549
2-bromo-3-chloro-5-(1-chloropropyl)thiophene
CID 80533388
2-bromo-5-(1-bromo-2-cyclopropylethyl)-3-chlorothiophene
CID 80533267
(5-bromo-4-chlorothiophen-2-yl)-(2,2-dimethylcyclopentyl)methanol
CID 107181811
2-bromo-5-[1-bromo-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-3-chlorothiophene
CID 103310769
2-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]-3-chlorothiophene
CID 80530641
2-bromo-5-[bromo-(2-chloro-4-methylphenyl)methyl]-3-chlorothiophene
CID 106863221
2-[bromo-(5-bromo-4-chlorothiophen-2-yl)methyl]-5-chlorofuran
CID 106689187
1-(5-bromo-4-chlorothiophen-2-yl)-4-methylpentan-1-ol
CID 80532143
1-(5-bromo-4-chlorothiophen-2-yl)pentan-1-amine
CID 80531015
1-(5-bromo-4-chlorothiophen-2-yl)-2-methylbutan-1-amine
CID 80530869
1-(5-bromo-4-chlorothiophen-2-yl)-1-cyclooctyl-N-methylmethanamine
CID 80531200

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]-3-chlorothiophene?
The IUPAC name of 2-bromo-5-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]-3-chlorothiophene (CID 80533486) is 2-bromo-5-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]-3-chlorothiophene.
What is the SMILES notation for 2-bromo-5-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]-3-chlorothiophene?
The canonical SMILES for 2-bromo-5-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]-3-chlorothiophene is CC1(C)C(C(Br)c2cc(Cl)c(Br)s2)C1(C)C.
What is the InChIKey of 2-bromo-5-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]-3-chlorothiophene?
The InChIKey is VMTFQOZXWWKLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br2ClS/c1-11(2)9(12(11,3)4)8(13)7-5-6(15)10(14)16-7/h5,8-9H,1-4H3.
What are the key properties of 2-bromo-5-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]-3-chlorothiophene?
2-bromo-5-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]-3-chlorothiophene has a molecular weight of 386.58 g/mol, XLogP of 6.28, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]-3-chlorothiophene is sourced from PubChem (CID 80533486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).