3-chloro-2-(1-chloro-3-cyclopentylpropyl)thiophene

C12H16Cl2S — CID 80530376

IUPAC3-chloro-2-(1-chloro-3-cyclopentylpropyl)thiophene
SMILESClc1ccsc1C(Cl)CCC1CCCC1
InChIInChI=1S/C12H16Cl2S/c13-10(12-11(14)7-8-15-12)6-5-9-3-1-2-4-9/h7-10H,1-6H2
InChIKeyDHPWGZHYWIPXJN-UHFFFAOYSA-N
MW263.23 g/mol
LogP5.65
Rot. Bonds4

About 3-chloro-2-(1-chloro-3-cyclopentylpropyl)thiophene

3-chloro-2-(1-chloro-3-cyclopentylpropyl)thiophene (PubChem CID 80530376) has the molecular formula C12H16Cl2S and a molecular weight of 263.23 g/mol. Its IUPAC name is 3-chloro-2-(1-chloro-3-cyclopentylpropyl)thiophene.

Molecular Properties

Compound Name3-chloro-2-(1-chloro-3-cyclopentylpropyl)thiophene
PubChem CID80530376
Molecular FormulaC12H16Cl2S
Molecular Weight263.23 g/mol
Exact Mass262.03
IUPAC Name3-chloro-2-(1-chloro-3-cyclopentylpropyl)thiophene
SMILESClc1ccsc1C(Cl)CCC1CCCC1
InChIInChI=1S/C12H16Cl2S/c13-10(12-11(14)7-8-15-12)6-5-9-3-1-2-4-9/h7-10H,1-6H2
InChIKeyDHPWGZHYWIPXJN-UHFFFAOYSA-N
XLogP5.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.23
LogP ≤ 55.65
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-(1-bromo-3-cyclohexylpropyl)-3-chlorothiophene
CID 80531920
3-chloro-2-[chloro(cyclooctyl)methyl]thiophene
CID 80530285
3-chloro-2-[chloro(cyclobutyl)methyl]thiophene
CID 80530412
3-bromo-2-(1-chloro-2-cyclopentylethyl)thiophene
CID 80536031
1-(3-chlorothiophen-2-yl)-2-cyclopentyl-N-ethylethanamine
CID 80528924
3-chloro-2-(1-chloro-2-cyclopropylpropyl)thiophene
CID 83148975
[1-(3-bromothiophen-2-yl)-3-cyclohexylpropyl]hydrazine
CID 105327876
1-chloro-2-(1-chloro-3-cyclopentylpropyl)-4,5-difluorobenzene
CID 107477301
3-cyclohexyl-N-ethyl-1-(3-methylthiophen-2-yl)propan-1-amine
CID 63503466
3-chloro-2-[1-chloro-3-(4-methoxyphenyl)propyl]thiophene
CID 80530344
3-cyclopentyl-1-(2-methylthiophen-3-yl)propan-1-ol
CID 102842471
1-(3-chlorothiophen-2-yl)-4,4,4-trifluorobutan-1-amine
CID 80530078

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(1-chloro-3-cyclopentylpropyl)thiophene?
The IUPAC name of 3-chloro-2-(1-chloro-3-cyclopentylpropyl)thiophene (CID 80530376) is 3-chloro-2-(1-chloro-3-cyclopentylpropyl)thiophene.
What is the SMILES notation for 3-chloro-2-(1-chloro-3-cyclopentylpropyl)thiophene?
The canonical SMILES for 3-chloro-2-(1-chloro-3-cyclopentylpropyl)thiophene is Clc1ccsc1C(Cl)CCC1CCCC1.
What is the InChIKey of 3-chloro-2-(1-chloro-3-cyclopentylpropyl)thiophene?
The InChIKey is DHPWGZHYWIPXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2S/c13-10(12-11(14)7-8-15-12)6-5-9-3-1-2-4-9/h7-10H,1-6H2.
What are the key properties of 3-chloro-2-(1-chloro-3-cyclopentylpropyl)thiophene?
3-chloro-2-(1-chloro-3-cyclopentylpropyl)thiophene has a molecular weight of 263.23 g/mol, XLogP of 5.65, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(1-chloro-3-cyclopentylpropyl)thiophene is sourced from PubChem (CID 80530376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).