2-(1-bromoheptyl)-3-chlorothiophene

C11H16BrClS — CID 114753686

IUPAC2-(1-bromoheptyl)-3-chlorothiophene
SMILESCCCCCCC(Br)c1sccc1Cl
InChIInChI=1S/C11H16BrClS/c1-2-3-4-5-6-9(12)11-10(13)7-8-14-11/h7-9H,2-6H2,1H3
InChIKeyDTCPMFKOAZSLLW-UHFFFAOYSA-N
MW295.67 g/mol
LogP5.81
Rot. Bonds6

About 2-(1-bromoheptyl)-3-chlorothiophene

2-(1-bromoheptyl)-3-chlorothiophene (PubChem CID 114753686) has the molecular formula C11H16BrClS and a molecular weight of 295.67 g/mol. Its IUPAC name is 2-(1-bromoheptyl)-3-chlorothiophene.

Molecular Properties

Compound Name2-(1-bromoheptyl)-3-chlorothiophene
PubChem CID114753686
Molecular FormulaC11H16BrClS
Molecular Weight295.67 g/mol
Exact Mass293.98
IUPAC Name2-(1-bromoheptyl)-3-chlorothiophene
SMILESCCCCCCC(Br)c1sccc1Cl
InChIInChI=1S/C11H16BrClS/c1-2-3-4-5-6-9(12)11-10(13)7-8-14-11/h7-9H,2-6H2,1H3
InChIKeyDTCPMFKOAZSLLW-UHFFFAOYSA-N
XLogP5.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.67
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chlorothiophen-2-yl)tridecan-1-ol
CID 115789521
1-(3-chlorothiophen-2-yl)heptan-1-amine
CID 114752614
1-(3-chlorothiophen-2-yl)hexan-1-ol
CID 80530393
1-(3-chlorothiophen-2-yl)-N-methyltridecan-1-amine
CID 115846498
2-(1-bromo-4-methylpentyl)-3-chlorothiophene
CID 80530517
1-(3-chlorothiophen-2-yl)-N-ethylundecan-1-amine
CID 115846003
1-(3-chlorothiophen-2-yl)nonylhydrazine
CID 105294361
1-(3-chlorothiophen-2-yl)-N-propyldecan-1-amine
CID 80529601
2-(1-bromononyl)thiophene
CID 65427153
1-(3-chlorothiophen-2-yl)undecan-2-amine
CID 112749736
1-(1-bromoheptyl)-4-chlorobenzene
CID 114753552
2-(1-bromo-3-cyclohexylpropyl)-3-chlorothiophene
CID 80531920

Frequently Asked Questions

What is the IUPAC name of 2-(1-bromoheptyl)-3-chlorothiophene?
The IUPAC name of 2-(1-bromoheptyl)-3-chlorothiophene (CID 114753686) is 2-(1-bromoheptyl)-3-chlorothiophene.
What is the SMILES notation for 2-(1-bromoheptyl)-3-chlorothiophene?
The canonical SMILES for 2-(1-bromoheptyl)-3-chlorothiophene is CCCCCCC(Br)c1sccc1Cl.
What is the InChIKey of 2-(1-bromoheptyl)-3-chlorothiophene?
The InChIKey is DTCPMFKOAZSLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrClS/c1-2-3-4-5-6-9(12)11-10(13)7-8-14-11/h7-9H,2-6H2,1H3.
What are the key properties of 2-(1-bromoheptyl)-3-chlorothiophene?
2-(1-bromoheptyl)-3-chlorothiophene has a molecular weight of 295.67 g/mol, XLogP of 5.81, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromoheptyl)-3-chlorothiophene is sourced from PubChem (CID 114753686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).