2-[1-bromo-2-(1-methoxycyclobutyl)ethyl]-3-chlorothiophene

C11H14BrClOS — CID 103557841

IUPAC2-[1-bromo-2-(1-methoxycyclobutyl)ethyl]-3-chlorothiophene
SMILESCOC1(CC(Br)c2sccc2Cl)CCC1
InChIInChI=1S/C11H14BrClOS/c1-14-11(4-2-5-11)7-8(12)10-9(13)3-6-15-10/h3,6,8H,2,4-5,7H2,1H3
InChIKeyOIJBAWBLYCFGFN-UHFFFAOYSA-N
MW309.66 g/mol
LogP4.80
Rot. Bonds4

About 2-[1-bromo-2-(1-methoxycyclobutyl)ethyl]-3-chlorothiophene

2-[1-bromo-2-(1-methoxycyclobutyl)ethyl]-3-chlorothiophene (PubChem CID 103557841) has the molecular formula C11H14BrClOS and a molecular weight of 309.66 g/mol. Its IUPAC name is 2-[1-bromo-2-(1-methoxycyclobutyl)ethyl]-3-chlorothiophene.

Molecular Properties

Compound Name2-[1-bromo-2-(1-methoxycyclobutyl)ethyl]-3-chlorothiophene
PubChem CID103557841
Molecular FormulaC11H14BrClOS
Molecular Weight309.66 g/mol
Exact Mass307.96
IUPAC Name2-[1-bromo-2-(1-methoxycyclobutyl)ethyl]-3-chlorothiophene
SMILESCOC1(CC(Br)c2sccc2Cl)CCC1
InChIInChI=1S/C11H14BrClOS/c1-14-11(4-2-5-11)7-8(12)10-9(13)3-6-15-10/h3,6,8H,2,4-5,7H2,1H3
InChIKeyOIJBAWBLYCFGFN-UHFFFAOYSA-N
XLogP4.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.66
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(1-adamantyl)-1-bromoethyl]-3-chlorothiophene
CID 80531682
2-[1-bromo-2-(1-methoxycyclobutyl)ethyl]-1,4-dichlorobenzene
CID 103557765
1-bromo-4-[1-bromo-2-(1-methoxycyclobutyl)ethyl]benzene
CID 103557717
(3-chlorothiophen-2-yl)-(1-methoxycyclohexyl)methanamine
CID 107360272
(3-chlorothiophen-2-yl)-(1-methoxycycloheptyl)methanol
CID 107359647
2-bromo-5-[1-bromo-2-(1-methoxycyclobutyl)ethyl]thiophene
CID 103557781
2-[2-bromo-3-(1-methoxycyclobutyl)propyl]thiophene
CID 103558133
1-[1-bromo-2-(1-methoxycyclobutyl)ethyl]-3-chloro-2,4-dimethoxybenzene
CID 103557885
2-(1-bromo-4-methylpentyl)-3-chlorothiophene
CID 80530517
1-[1-bromo-2-(1-methoxycyclobutyl)ethyl]-2-fluoro-4-methoxybenzene
CID 103557775
2-[1-bromo-2-(1-methoxycyclobutyl)ethyl]-1,3,5-trimethylbenzene
CID 103557742
2-(1-bromo-3-cyclohexylpropyl)-3-chlorothiophene
CID 80531920

Frequently Asked Questions

What is the IUPAC name of 2-[1-bromo-2-(1-methoxycyclobutyl)ethyl]-3-chlorothiophene?
The IUPAC name of 2-[1-bromo-2-(1-methoxycyclobutyl)ethyl]-3-chlorothiophene (CID 103557841) is 2-[1-bromo-2-(1-methoxycyclobutyl)ethyl]-3-chlorothiophene.
What is the SMILES notation for 2-[1-bromo-2-(1-methoxycyclobutyl)ethyl]-3-chlorothiophene?
The canonical SMILES for 2-[1-bromo-2-(1-methoxycyclobutyl)ethyl]-3-chlorothiophene is COC1(CC(Br)c2sccc2Cl)CCC1.
What is the InChIKey of 2-[1-bromo-2-(1-methoxycyclobutyl)ethyl]-3-chlorothiophene?
The InChIKey is OIJBAWBLYCFGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClOS/c1-14-11(4-2-5-11)7-8(12)10-9(13)3-6-15-10/h3,6,8H,2,4-5,7H2,1H3.
What are the key properties of 2-[1-bromo-2-(1-methoxycyclobutyl)ethyl]-3-chlorothiophene?
2-[1-bromo-2-(1-methoxycyclobutyl)ethyl]-3-chlorothiophene has a molecular weight of 309.66 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-bromo-2-(1-methoxycyclobutyl)ethyl]-3-chlorothiophene is sourced from PubChem (CID 103557841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).