3-bromo-2-[2-(chloromethyl)-3-methylbutyl]thiophene

C10H14BrClS — CID 66035672

IUPAC3-bromo-2-[2-(chloromethyl)-3-methylbutyl]thiophene
SMILESCC(C)C(CCl)Cc1sccc1Br
InChIInChI=1S/C10H14BrClS/c1-7(2)8(6-12)5-10-9(11)3-4-13-10/h3-4,7-8H,5-6H2,1-2H3
InChIKeyGSVXBRITZLUVIX-UHFFFAOYSA-N
MW281.65 g/mol
LogP4.56
Rot. Bonds4

About 3-bromo-2-[2-(chloromethyl)-3-methylbutyl]thiophene

3-bromo-2-[2-(chloromethyl)-3-methylbutyl]thiophene (PubChem CID 66035672) has the molecular formula C10H14BrClS and a molecular weight of 281.65 g/mol. Its IUPAC name is 3-bromo-2-[2-(chloromethyl)-3-methylbutyl]thiophene.

Molecular Properties

Compound Name3-bromo-2-[2-(chloromethyl)-3-methylbutyl]thiophene
PubChem CID66035672
Molecular FormulaC10H14BrClS
Molecular Weight281.65 g/mol
Exact Mass279.97
IUPAC Name3-bromo-2-[2-(chloromethyl)-3-methylbutyl]thiophene
SMILESCC(C)C(CCl)Cc1sccc1Br
InChIInChI=1S/C10H14BrClS/c1-7(2)8(6-12)5-10-9(11)3-4-13-10/h3-4,7-8H,5-6H2,1-2H3
InChIKeyGSVXBRITZLUVIX-UHFFFAOYSA-N
XLogP4.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.65
LogP ≤ 54.56
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-bromo-2-[3-chloro-2-(4-fluorophenyl)propyl]thiophene
CID 79438641
1-(3-bromothiophen-2-yl)-3-methoxy-3-methylbutan-2-ol
CID 79197988
3-bromo-2-[2-(chloromethyl)-3-(4-fluorophenyl)propyl]thiophene
CID 66035034
3-(3-bromothiophen-2-yl)-N-tert-butyl-2-methylpropan-1-amine
CID 62528495
2-[(3-bromothiophen-2-yl)methyl]-N,3,3-trimethylbutan-1-amine
CID 83138413
1-(3-bromothiophen-2-yl)-N,5-dimethylhexan-2-amine
CID 62603747
2-[(3-bromothiophen-2-yl)methyl]-2-fluoro-3-methylbutan-1-amine
CID 112566956
2-[2,2-bis(chloromethyl)butyl]-3-bromothiophene
CID 79448344
5-(3-bromothiophen-2-yl)pentan-2-ol
CID 64516501
1-(3-bromothiophen-2-yl)-5-methoxyhexan-2-ol
CID 105090894
1-(3-bromothiophen-2-yl)-N-ethyl-3-propylhexan-2-amine
CID 115849149
1-(3-bromothiophen-2-yl)-4-phenylpentan-2-ol
CID 65150014

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-[2-(chloromethyl)-3-methylbutyl]thiophene?
The IUPAC name of 3-bromo-2-[2-(chloromethyl)-3-methylbutyl]thiophene (CID 66035672) is 3-bromo-2-[2-(chloromethyl)-3-methylbutyl]thiophene.
What is the SMILES notation for 3-bromo-2-[2-(chloromethyl)-3-methylbutyl]thiophene?
The canonical SMILES for 3-bromo-2-[2-(chloromethyl)-3-methylbutyl]thiophene is CC(C)C(CCl)Cc1sccc1Br.
What is the InChIKey of 3-bromo-2-[2-(chloromethyl)-3-methylbutyl]thiophene?
The InChIKey is GSVXBRITZLUVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrClS/c1-7(2)8(6-12)5-10-9(11)3-4-13-10/h3-4,7-8H,5-6H2,1-2H3.
What are the key properties of 3-bromo-2-[2-(chloromethyl)-3-methylbutyl]thiophene?
3-bromo-2-[2-(chloromethyl)-3-methylbutyl]thiophene has a molecular weight of 281.65 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-[2-(chloromethyl)-3-methylbutyl]thiophene is sourced from PubChem (CID 66035672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).