2-(4-bromohexyl)-5-chlorothiophene

C10H14BrClS — CID 64509206

IUPAC2-(4-bromohexyl)-5-chlorothiophene
SMILESCCC(Br)CCCc1ccc(Cl)s1
InChIInChI=1S/C10H14BrClS/c1-2-8(11)4-3-5-9-6-7-10(12)13-9/h6-8H,2-5H2,1H3
InChIKeyUBDDCYWMBMEYHJ-UHFFFAOYSA-N
MW281.65 g/mol
LogP4.90
Rot. Bonds5

About 2-(4-bromohexyl)-5-chlorothiophene

2-(4-bromohexyl)-5-chlorothiophene (PubChem CID 64509206) has the molecular formula C10H14BrClS and a molecular weight of 281.65 g/mol. Its IUPAC name is 2-(4-bromohexyl)-5-chlorothiophene.

Molecular Properties

Compound Name2-(4-bromohexyl)-5-chlorothiophene
PubChem CID64509206
Molecular FormulaC10H14BrClS
Molecular Weight281.65 g/mol
Exact Mass279.97
IUPAC Name2-(4-bromohexyl)-5-chlorothiophene
SMILESCCC(Br)CCCc1ccc(Cl)s1
InChIInChI=1S/C10H14BrClS/c1-2-8(11)4-3-5-9-6-7-10(12)13-9/h6-8H,2-5H2,1H3
InChIKeyUBDDCYWMBMEYHJ-UHFFFAOYSA-N
XLogP4.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.65
LogP ≤ 54.90
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

5-(5-chlorothiophen-2-yl)pentan-2-ol
CID 64515785
2-chloro-5-(3-chlorohexyl)thiophene
CID 63460183
2-(3-bromopentyl)-5-ethylthiophene
CID 63471038
N-[2-(5-chlorothiophen-2-yl)ethyl]hexan-3-amine
CID 115905549
N-[2-(5-chlorothiophen-2-yl)ethyl]heptan-4-amine
CID 106042280
4-(5-chlorothiophen-2-yl)butanenitrile
CID 82075240
N-[2-(5-chlorothiophen-2-yl)ethyl]pentan-2-amine
CID 115713587
2-(4-bromopentyl)-5-ethylthiophene
CID 64507801
2-chloro-5-(4-chloro-3-methylbutyl)thiophene
CID 64665256
1-bromo-4-(5-chlorothiophen-2-yl)butan-2-ol
CID 12895737
4-(5-chlorothiophen-2-yl)-2-methylbutan-1-ol
CID 64665033
5-(5-chlorothiophen-2-yl)pentan-2-one
CID 64522683

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromohexyl)-5-chlorothiophene?
The IUPAC name of 2-(4-bromohexyl)-5-chlorothiophene (CID 64509206) is 2-(4-bromohexyl)-5-chlorothiophene.
What is the SMILES notation for 2-(4-bromohexyl)-5-chlorothiophene?
The canonical SMILES for 2-(4-bromohexyl)-5-chlorothiophene is CCC(Br)CCCc1ccc(Cl)s1.
What is the InChIKey of 2-(4-bromohexyl)-5-chlorothiophene?
The InChIKey is UBDDCYWMBMEYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrClS/c1-2-8(11)4-3-5-9-6-7-10(12)13-9/h6-8H,2-5H2,1H3.
What are the key properties of 2-(4-bromohexyl)-5-chlorothiophene?
2-(4-bromohexyl)-5-chlorothiophene has a molecular weight of 281.65 g/mol, XLogP of 4.90, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromohexyl)-5-chlorothiophene is sourced from PubChem (CID 64509206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).