2-(3-bromo-4-methylpentyl)-3-chlorothiophene

C10H14BrClS — CID 107360882

IUPAC2-(3-bromo-4-methylpentyl)-3-chlorothiophene
SMILESCC(C)C(Br)CCc1sccc1Cl
InChIInChI=1S/C10H14BrClS/c1-7(2)8(11)3-4-10-9(12)5-6-13-10/h5-8H,3-4H2,1-2H3
InChIKeyXBRISDNHMFIJBU-UHFFFAOYSA-N
MW281.65 g/mol
LogP4.75
Rot. Bonds4

About 2-(3-bromo-4-methylpentyl)-3-chlorothiophene

2-(3-bromo-4-methylpentyl)-3-chlorothiophene (PubChem CID 107360882) has the molecular formula C10H14BrClS and a molecular weight of 281.65 g/mol. Its IUPAC name is 2-(3-bromo-4-methylpentyl)-3-chlorothiophene.

Molecular Properties

Compound Name2-(3-bromo-4-methylpentyl)-3-chlorothiophene
PubChem CID107360882
Molecular FormulaC10H14BrClS
Molecular Weight281.65 g/mol
Exact Mass279.97
IUPAC Name2-(3-bromo-4-methylpentyl)-3-chlorothiophene
SMILESCC(C)C(Br)CCc1sccc1Cl
InChIInChI=1S/C10H14BrClS/c1-7(2)8(11)3-4-10-9(12)5-6-13-10/h5-8H,3-4H2,1-2H3
InChIKeyXBRISDNHMFIJBU-UHFFFAOYSA-N
XLogP4.75
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 ≤ 54.75
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

1-(3-chlorothiophen-2-yl)-4,4-dimethylpentan-3-amine
CID 107360773
5-(3-chlorothiophen-2-yl)-3-methylpentan-1-amine
CID 80531602
1-(3-chlorothiophen-2-yl)-4,4-dimethyl-N-propylpentan-3-amine
CID 107360809
2-(3-bromobutyl)-3-methylthiophene
CID 79994830
3-(3-chlorothiophen-2-yl)propan-1-ol
CID 55266094
2-(1-bromo-4-methylpentyl)-3-chlorothiophene
CID 80530517
1-[2-[(3-chlorothiophen-2-yl)methoxy]phenyl]ethanol
CID 112749404
1-(3-chlorothiophen-2-yl)undecan-2-amine
CID 112749736
1-(4-bromo-5-methylhexyl)-2-chloro-4-fluorobenzene
CID 64506305
3-chloro-2-(isocyanomethyl)thiophene
CID 83480052
4-(3-bromothiophen-2-yl)-2-methylbutanal
CID 64665783
1-(3-bromo-4-methylpentyl)-3,5-dimethylbenzene
CID 63471621

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methylpentyl)-3-chlorothiophene?
The IUPAC name of 2-(3-bromo-4-methylpentyl)-3-chlorothiophene (CID 107360882) is 2-(3-bromo-4-methylpentyl)-3-chlorothiophene.
What is the SMILES notation for 2-(3-bromo-4-methylpentyl)-3-chlorothiophene?
The canonical SMILES for 2-(3-bromo-4-methylpentyl)-3-chlorothiophene is CC(C)C(Br)CCc1sccc1Cl.
What is the InChIKey of 2-(3-bromo-4-methylpentyl)-3-chlorothiophene?
The InChIKey is XBRISDNHMFIJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrClS/c1-7(2)8(11)3-4-10-9(12)5-6-13-10/h5-8H,3-4H2,1-2H3.
What are the key properties of 2-(3-bromo-4-methylpentyl)-3-chlorothiophene?
2-(3-bromo-4-methylpentyl)-3-chlorothiophene has a molecular weight of 281.65 g/mol, XLogP of 4.75, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-methylpentyl)-3-chlorothiophene is sourced from PubChem (CID 107360882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).