2-bromo-5-[1-bromo-2-(1-methoxycyclobutyl)ethyl]thiophene

C11H14Br2OS — CID 103557781

IUPAC2-bromo-5-[1-bromo-2-(1-methoxycyclobutyl)ethyl]thiophene
SMILESCOC1(CC(Br)c2ccc(Br)s2)CCC1
InChIInChI=1S/C11H14Br2OS/c1-14-11(5-2-6-11)7-8(12)9-3-4-10(13)15-9/h3-4,8H,2,5-7H2,1H3
InChIKeyFWCGTSZBAACWEL-UHFFFAOYSA-N
MW354.11 g/mol
LogP4.91
Rot. Bonds4

About 2-bromo-5-[1-bromo-2-(1-methoxycyclobutyl)ethyl]thiophene

2-bromo-5-[1-bromo-2-(1-methoxycyclobutyl)ethyl]thiophene (PubChem CID 103557781) has the molecular formula C11H14Br2OS and a molecular weight of 354.11 g/mol. Its IUPAC name is 2-bromo-5-[1-bromo-2-(1-methoxycyclobutyl)ethyl]thiophene.

Molecular Properties

Compound Name2-bromo-5-[1-bromo-2-(1-methoxycyclobutyl)ethyl]thiophene
PubChem CID103557781
Molecular FormulaC11H14Br2OS
Molecular Weight354.11 g/mol
Exact Mass351.91
IUPAC Name2-bromo-5-[1-bromo-2-(1-methoxycyclobutyl)ethyl]thiophene
SMILESCOC1(CC(Br)c2ccc(Br)s2)CCC1
InChIInChI=1S/C11H14Br2OS/c1-14-11(5-2-6-11)7-8(12)9-3-4-10(13)15-9/h3-4,8H,2,5-7H2,1H3
InChIKeyFWCGTSZBAACWEL-UHFFFAOYSA-N
XLogP4.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.11
LogP ≤ 54.91
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

1-bromo-4-[1-bromo-2-(1-methoxycyclobutyl)ethyl]benzene
CID 103557717
1-(5-chlorothiophen-2-yl)-2-(1-methoxycyclobutyl)ethanol
CID 103557536
2-[1-bromo-2-(1-methoxycyclobutyl)ethyl]-1,3,5-trimethylbenzene
CID 103557742
1-(5-bromothiophen-2-yl)-2-(1-methylcyclobutyl)ethanol
CID 130601456
2-[1-bromo-2-(1-methoxycyclobutyl)ethyl]-1,4-dichlorobenzene
CID 103557765
1-(5-ethylthiophen-2-yl)-2-(1-methoxycyclobutyl)ethanamine
CID 103556111
2-bromo-5-(1-bromo-3-methylbutyl)thiophene
CID 63444379
1-[1-bromo-2-(1-methoxycyclobutyl)ethyl]-3-chloro-2,4-dimethoxybenzene
CID 103557885
2-[2-bromo-3-(1-methoxycyclobutyl)propyl]thiophene
CID 103558133
1-(4-bromophenyl)-2-(1-methoxycyclobutyl)ethanol
CID 103557499
1-(5-tert-butylthiophen-2-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine
CID 103556474
N-ethyl-1-(5-ethylthiophen-2-yl)-2-(1-methoxycyclobutyl)ethanamine
CID 103556211

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[1-bromo-2-(1-methoxycyclobutyl)ethyl]thiophene?
The IUPAC name of 2-bromo-5-[1-bromo-2-(1-methoxycyclobutyl)ethyl]thiophene (CID 103557781) is 2-bromo-5-[1-bromo-2-(1-methoxycyclobutyl)ethyl]thiophene.
What is the SMILES notation for 2-bromo-5-[1-bromo-2-(1-methoxycyclobutyl)ethyl]thiophene?
The canonical SMILES for 2-bromo-5-[1-bromo-2-(1-methoxycyclobutyl)ethyl]thiophene is COC1(CC(Br)c2ccc(Br)s2)CCC1.
What is the InChIKey of 2-bromo-5-[1-bromo-2-(1-methoxycyclobutyl)ethyl]thiophene?
The InChIKey is FWCGTSZBAACWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Br2OS/c1-14-11(5-2-6-11)7-8(12)9-3-4-10(13)15-9/h3-4,8H,2,5-7H2,1H3.
What are the key properties of 2-bromo-5-[1-bromo-2-(1-methoxycyclobutyl)ethyl]thiophene?
2-bromo-5-[1-bromo-2-(1-methoxycyclobutyl)ethyl]thiophene has a molecular weight of 354.11 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[1-bromo-2-(1-methoxycyclobutyl)ethyl]thiophene is sourced from PubChem (CID 103557781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).