2-chloro-5-(3-chloro-2-cyclopropyl-2-methylpropyl)thiophene

C11H14Cl2S — CID 83150937

IUPAC2-chloro-5-(3-chloro-2-cyclopropyl-2-methylpropyl)thiophene
SMILESCC(CCl)(Cc1ccc(Cl)s1)C1CC1
InChIInChI=1S/C11H14Cl2S/c1-11(7-12,8-2-3-8)6-9-4-5-10(13)14-9/h4-5,8H,2-3,6-7H2,1H3
InChIKeyIZIZQGGIUSWEDE-UHFFFAOYSA-N
MW249.21 g/mol
LogP4.60
Rot. Bonds4

About 2-chloro-5-(3-chloro-2-cyclopropyl-2-methylpropyl)thiophene

2-chloro-5-(3-chloro-2-cyclopropyl-2-methylpropyl)thiophene (PubChem CID 83150937) has the molecular formula C11H14Cl2S and a molecular weight of 249.21 g/mol. Its IUPAC name is 2-chloro-5-(3-chloro-2-cyclopropyl-2-methylpropyl)thiophene.

Molecular Properties

Compound Name2-chloro-5-(3-chloro-2-cyclopropyl-2-methylpropyl)thiophene
PubChem CID83150937
Molecular FormulaC11H14Cl2S
Molecular Weight249.21 g/mol
Exact Mass248.02
IUPAC Name2-chloro-5-(3-chloro-2-cyclopropyl-2-methylpropyl)thiophene
SMILESCC(CCl)(Cc1ccc(Cl)s1)C1CC1
InChIInChI=1S/C11H14Cl2S/c1-11(7-12,8-2-3-8)6-9-4-5-10(13)14-9/h4-5,8H,2-3,6-7H2,1H3
InChIKeyIZIZQGGIUSWEDE-UHFFFAOYSA-N
XLogP4.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.21
LogP ≤ 54.60
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

1-(4-tert-butylcyclohexyl)-2-(5-chlorothiophen-2-yl)ethanone
CID 65402113
3-(5-chlorothiophen-2-yl)-2,2-dimethylpropan-1-ol
CID 66025156
N-[2-[(5-chlorothiophen-2-yl)methyl]-2,3-dimethylbutyl]cyclopropanamine
CID 83151192
[4-tert-butyl-2-[(5-chlorothiophen-2-yl)methyl]cyclohexyl]methanamine
CID 81011481
1-chloro-4-(3-chloro-2-cyclopropyl-2-methylpropyl)-2-fluorobenzene
CID 107893302
2-[(5-chlorothiophen-2-yl)methyl]-3-(cyclopropylamino)-2-methyl-3-oxopropanoic acid
CID 114900410
(2S)-2-[3-(5-chlorothiophen-2-yl)propanoylamino]-2-cyclopropylpropanoic acid
CID 97337376
1-(5-chlorothiophen-2-yl)-2-methylheptan-2-ol
CID 80557726
2-chloro-5-(2-ethyl-2-methylheptyl)thiophene
CID 130455839
2-[3-chloro-2-(chloromethyl)-2-cyclopentylpropyl]-5-ethylthiophene
CID 112571110
1-(5-chlorothiophen-2-yl)-2-(5-methylthiophen-2-yl)propan-2-ol
CID 114910568
2-[(5-chlorothiophen-2-yl)methyl]-2-fluorobutan-1-amine
CID 112566022

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(3-chloro-2-cyclopropyl-2-methylpropyl)thiophene?
The IUPAC name of 2-chloro-5-(3-chloro-2-cyclopropyl-2-methylpropyl)thiophene (CID 83150937) is 2-chloro-5-(3-chloro-2-cyclopropyl-2-methylpropyl)thiophene.
What is the SMILES notation for 2-chloro-5-(3-chloro-2-cyclopropyl-2-methylpropyl)thiophene?
The canonical SMILES for 2-chloro-5-(3-chloro-2-cyclopropyl-2-methylpropyl)thiophene is CC(CCl)(Cc1ccc(Cl)s1)C1CC1.
What is the InChIKey of 2-chloro-5-(3-chloro-2-cyclopropyl-2-methylpropyl)thiophene?
The InChIKey is IZIZQGGIUSWEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2S/c1-11(7-12,8-2-3-8)6-9-4-5-10(13)14-9/h4-5,8H,2-3,6-7H2,1H3.
What are the key properties of 2-chloro-5-(3-chloro-2-cyclopropyl-2-methylpropyl)thiophene?
2-chloro-5-(3-chloro-2-cyclopropyl-2-methylpropyl)thiophene has a molecular weight of 249.21 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(3-chloro-2-cyclopropyl-2-methylpropyl)thiophene is sourced from PubChem (CID 83150937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).