3-(3-bromo-2-methylcyclopentyl)-2-chlorothiophene

C10H12BrClS — CID 130679850

IUPAC3-(3-bromo-2-methylcyclopentyl)-2-chlorothiophene
SMILESCC1C(Br)CCC1c1ccsc1Cl
InChIInChI=1S/C10H12BrClS/c1-6-7(2-3-9(6)11)8-4-5-13-10(8)12/h4-7,9H,2-3H2,1H3
InChIKeyBMTZHUSFYZSMKK-UHFFFAOYSA-N
MW279.63 g/mol
LogP4.68
Rot. Bonds1

About 3-(3-bromo-2-methylcyclopentyl)-2-chlorothiophene

3-(3-bromo-2-methylcyclopentyl)-2-chlorothiophene (PubChem CID 130679850) has the molecular formula C10H12BrClS and a molecular weight of 279.63 g/mol. Its IUPAC name is 3-(3-bromo-2-methylcyclopentyl)-2-chlorothiophene.

Molecular Properties

Compound Name3-(3-bromo-2-methylcyclopentyl)-2-chlorothiophene
PubChem CID130679850
Molecular FormulaC10H12BrClS
Molecular Weight279.63 g/mol
Exact Mass277.95
IUPAC Name3-(3-bromo-2-methylcyclopentyl)-2-chlorothiophene
SMILESCC1C(Br)CCC1c1ccsc1Cl
InChIInChI=1S/C10H12BrClS/c1-6-7(2-3-9(6)11)8-4-5-13-10(8)12/h4-7,9H,2-3H2,1H3
InChIKeyBMTZHUSFYZSMKK-UHFFFAOYSA-N
XLogP4.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.63
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-2-methylcyclopentyl)-2-chlorothiophene?
The IUPAC name of 3-(3-bromo-2-methylcyclopentyl)-2-chlorothiophene (CID 130679850) is 3-(3-bromo-2-methylcyclopentyl)-2-chlorothiophene.
What is the SMILES notation for 3-(3-bromo-2-methylcyclopentyl)-2-chlorothiophene?
The canonical SMILES for 3-(3-bromo-2-methylcyclopentyl)-2-chlorothiophene is CC1C(Br)CCC1c1ccsc1Cl.
What is the InChIKey of 3-(3-bromo-2-methylcyclopentyl)-2-chlorothiophene?
The InChIKey is BMTZHUSFYZSMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClS/c1-6-7(2-3-9(6)11)8-4-5-13-10(8)12/h4-7,9H,2-3H2,1H3.
What are the key properties of 3-(3-bromo-2-methylcyclopentyl)-2-chlorothiophene?
3-(3-bromo-2-methylcyclopentyl)-2-chlorothiophene has a molecular weight of 279.63 g/mol, XLogP of 4.68, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-2-methylcyclopentyl)-2-chlorothiophene is sourced from PubChem (CID 130679850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).