2-[[1-(chloromethyl)cyclobutyl]methyl]thiophene

C10H13ClS — CID 66036450

IUPAC2-[[1-(chloromethyl)cyclobutyl]methyl]thiophene
SMILESClCC1(Cc2cccs2)CCC1
InChIInChI=1S/C10H13ClS/c11-8-10(4-2-5-10)7-9-3-1-6-12-9/h1,3,6H,2,4-5,7-8H2
InChIKeyGDDWSIOEIKNFSF-UHFFFAOYSA-N
MW200.73 g/mol
LogP3.70
Rot. Bonds3

About 2-[[1-(chloromethyl)cyclobutyl]methyl]thiophene

2-[[1-(chloromethyl)cyclobutyl]methyl]thiophene (PubChem CID 66036450) has the molecular formula C10H13ClS and a molecular weight of 200.73 g/mol. Its IUPAC name is 2-[[1-(chloromethyl)cyclobutyl]methyl]thiophene.

Molecular Properties

Compound Name2-[[1-(chloromethyl)cyclobutyl]methyl]thiophene
PubChem CID66036450
Molecular FormulaC10H13ClS
Molecular Weight200.73 g/mol
Exact Mass200.04
IUPAC Name2-[[1-(chloromethyl)cyclobutyl]methyl]thiophene
SMILESClCC1(Cc2cccs2)CCC1
InChIInChI=1S/C10H13ClS/c11-8-10(4-2-5-10)7-9-3-1-6-12-9/h1,3,6H,2,4-5,7-8H2
InChIKeyGDDWSIOEIKNFSF-UHFFFAOYSA-N
XLogP3.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.73
LogP ≤ 53.70
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-(chloromethyl)-3-(thiophen-2-ylmethyl)oxolane
CID 66033453
2-methyl-N-[[1-(thiophen-2-ylmethyl)cyclobutyl]methyl]propan-2-amine
CID 65194455
N-[[1-(thiophen-2-ylmethyl)cyclohexyl]methyl]propan-1-amine
CID 62724982
2-[[1-(chloromethyl)cyclobutyl]methyl]-5-ethylthiophene
CID 66034874
2-methoxy-N-[[1-(thiophen-2-ylmethyl)cyclopentyl]methyl]ethanamine
CID 62725406
N-[(1-propylcyclobutyl)methyl]-1-thiophen-2-ylmethanamine
CID 115694272
[4,4-dimethyl-1-(thiophen-2-ylmethyl)cyclohexyl]methanamine
CID 65390783
2-[2-[1-(chloromethyl)-3,4-dihydro-2H-naphthalen-1-yl]ethyl]thiophene
CID 66036104
2-[[1-(bromomethyl)cyclobutyl]methoxymethyl]thiophene
CID 65007480
1-[(thiophen-2-ylmethylamino)methyl]cyclobutan-1-ol
CID 115621566
1-(2-thiophen-2-ylethyl)cyclopentan-1-amine
CID 63774974
1-[(thiophen-2-ylmethylamino)methyl]cyclopentan-1-ol
CID 63934542

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(chloromethyl)cyclobutyl]methyl]thiophene?
The IUPAC name of 2-[[1-(chloromethyl)cyclobutyl]methyl]thiophene (CID 66036450) is 2-[[1-(chloromethyl)cyclobutyl]methyl]thiophene.
What is the SMILES notation for 2-[[1-(chloromethyl)cyclobutyl]methyl]thiophene?
The canonical SMILES for 2-[[1-(chloromethyl)cyclobutyl]methyl]thiophene is ClCC1(Cc2cccs2)CCC1.
What is the InChIKey of 2-[[1-(chloromethyl)cyclobutyl]methyl]thiophene?
The InChIKey is GDDWSIOEIKNFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClS/c11-8-10(4-2-5-10)7-9-3-1-6-12-9/h1,3,6H,2,4-5,7-8H2.
What are the key properties of 2-[[1-(chloromethyl)cyclobutyl]methyl]thiophene?
2-[[1-(chloromethyl)cyclobutyl]methyl]thiophene has a molecular weight of 200.73 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(chloromethyl)cyclobutyl]methyl]thiophene is sourced from PubChem (CID 66036450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).