3-bromo-2-(3-chloro-2-cyclopropyl-2-methylpropyl)thiophene

C11H14BrClS — CID 83149751

IUPAC3-bromo-2-(3-chloro-2-cyclopropyl-2-methylpropyl)thiophene
SMILESCC(CCl)(Cc1sccc1Br)C1CC1
InChIInChI=1S/C11H14BrClS/c1-11(7-13,8-2-3-8)6-10-9(12)4-5-14-10/h4-5,8H,2-3,6-7H2,1H3
InChIKeyYPDYHEANMDLQBH-UHFFFAOYSA-N
MW293.66 g/mol
LogP4.71
Rot. Bonds4

About 3-bromo-2-(3-chloro-2-cyclopropyl-2-methylpropyl)thiophene

3-bromo-2-(3-chloro-2-cyclopropyl-2-methylpropyl)thiophene (PubChem CID 83149751) has the molecular formula C11H14BrClS and a molecular weight of 293.66 g/mol. Its IUPAC name is 3-bromo-2-(3-chloro-2-cyclopropyl-2-methylpropyl)thiophene.

Molecular Properties

Compound Name3-bromo-2-(3-chloro-2-cyclopropyl-2-methylpropyl)thiophene
PubChem CID83149751
Molecular FormulaC11H14BrClS
Molecular Weight293.66 g/mol
Exact Mass291.97
IUPAC Name3-bromo-2-(3-chloro-2-cyclopropyl-2-methylpropyl)thiophene
SMILESCC(CCl)(Cc1sccc1Br)C1CC1
InChIInChI=1S/C11H14BrClS/c1-11(7-13,8-2-3-8)6-10-9(12)4-5-14-10/h4-5,8H,2-3,6-7H2,1H3
InChIKeyYPDYHEANMDLQBH-UHFFFAOYSA-N
XLogP4.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.66
LogP ≤ 54.71
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-(3-bromothiophen-2-yl)-2-cyclopropyl-N,2-dimethylpropan-1-amine
CID 83148633
3-(3-bromothiophen-2-yl)-2-cyclopropyl-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 83159994
3-bromo-2-[3-chloro-2-(chloromethyl)-2-cyclopentylpropyl]thiophene
CID 112571116
2-[2,2-bis(chloromethyl)butyl]-3-bromothiophene
CID 79448344
2-[(3-bromothiophen-2-yl)methyl]-2-methylpropane-1,3-diol
CID 79450444
1-(3-bromothiophen-2-yl)-3-(cyclopropylamino)-2-methylpropan-2-ol
CID 66039885
N-[2-[(3-bromothiophen-2-yl)methyl]-2-methylbutyl]cyclopropanamine
CID 62717986
2-chloro-5-(3-chloro-2-cyclopropyl-2-methylpropyl)thiophene
CID 83150937
2-[(3-bromothiophen-2-yl)methyl]-4-tert-butyl-N-methylcyclohexan-1-amine
CID 55188433
2-(3-bromothiophen-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanol
CID 105091001
1-(3-bromothiophen-2-yl)-2-phenylpropan-2-ol
CID 65147917
1-chloro-4-(3-chloro-2-cyclopropyl-2-methylpropyl)-2-fluorobenzene
CID 107893302

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(3-chloro-2-cyclopropyl-2-methylpropyl)thiophene?
The IUPAC name of 3-bromo-2-(3-chloro-2-cyclopropyl-2-methylpropyl)thiophene (CID 83149751) is 3-bromo-2-(3-chloro-2-cyclopropyl-2-methylpropyl)thiophene.
What is the SMILES notation for 3-bromo-2-(3-chloro-2-cyclopropyl-2-methylpropyl)thiophene?
The canonical SMILES for 3-bromo-2-(3-chloro-2-cyclopropyl-2-methylpropyl)thiophene is CC(CCl)(Cc1sccc1Br)C1CC1.
What is the InChIKey of 3-bromo-2-(3-chloro-2-cyclopropyl-2-methylpropyl)thiophene?
The InChIKey is YPDYHEANMDLQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClS/c1-11(7-13,8-2-3-8)6-10-9(12)4-5-14-10/h4-5,8H,2-3,6-7H2,1H3.
What are the key properties of 3-bromo-2-(3-chloro-2-cyclopropyl-2-methylpropyl)thiophene?
3-bromo-2-(3-chloro-2-cyclopropyl-2-methylpropyl)thiophene has a molecular weight of 293.66 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(3-chloro-2-cyclopropyl-2-methylpropyl)thiophene is sourced from PubChem (CID 83149751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).