3-(2-bromo-4-cyclohexylbutyl)thiophene

C14H21BrS — CID 63543076

IUPAC3-(2-bromo-4-cyclohexylbutyl)thiophene
SMILESBrC(CCC1CCCCC1)Cc1ccsc1
InChIInChI=1S/C14H21BrS/c15-14(10-13-8-9-16-11-13)7-6-12-4-2-1-3-5-12/h8-9,11-12,14H,1-7,10H2
InChIKeyJIOUREBTAWQVEC-UHFFFAOYSA-N
MW301.29 g/mol
LogP5.41
Rot. Bonds5

About 3-(2-bromo-4-cyclohexylbutyl)thiophene

3-(2-bromo-4-cyclohexylbutyl)thiophene (PubChem CID 63543076) has the molecular formula C14H21BrS and a molecular weight of 301.29 g/mol. Its IUPAC name is 3-(2-bromo-4-cyclohexylbutyl)thiophene.

Molecular Properties

Compound Name3-(2-bromo-4-cyclohexylbutyl)thiophene
PubChem CID63543076
Molecular FormulaC14H21BrS
Molecular Weight301.29 g/mol
Exact Mass300.05
IUPAC Name3-(2-bromo-4-cyclohexylbutyl)thiophene
SMILESBrC(CCC1CCCCC1)Cc1ccsc1
InChIInChI=1S/C14H21BrS/c15-14(10-13-8-9-16-11-13)7-6-12-4-2-1-3-5-12/h8-9,11-12,14H,1-7,10H2
InChIKeyJIOUREBTAWQVEC-UHFFFAOYSA-N
XLogP5.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.29
LogP ≤ 55.41
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

4-cyclohexyl-N-methyl-1-thiophen-3-ylbutan-2-amine
CID 61077655
1-bromo-4-(2-bromo-4-cyclohexylbutyl)benzene
CID 63542059
1-cyclohexyl-5-thiophen-3-ylpentan-3-ol
CID 115798364
1-cyclopentyl-5-thiophen-3-ylpentan-3-amine
CID 115857138
2-cyclopentyl-N-(thiophen-3-ylmethyl)ethanamine
CID 60732816
3-(2-bromo-4,4-dimethylpentyl)thiophene
CID 63542905
3-(2-bromoicosyl)thiophene
CID 89438780
3-(2-bromotridecyl)thiophene
CID 65428156
3-(2,2-dibromoethyl)thiophene
CID 174416053
1-cyclopentyl-N-propyl-5-thiophen-3-ylpentan-3-amine
CID 115856935
3-(2-cyclopropylethyl)thiophene
CID 159324839
4-cyclopentyl-1-thiophen-3-ylbutan-2-one
CID 61055455

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-4-cyclohexylbutyl)thiophene?
The IUPAC name of 3-(2-bromo-4-cyclohexylbutyl)thiophene (CID 63543076) is 3-(2-bromo-4-cyclohexylbutyl)thiophene.
What is the SMILES notation for 3-(2-bromo-4-cyclohexylbutyl)thiophene?
The canonical SMILES for 3-(2-bromo-4-cyclohexylbutyl)thiophene is BrC(CCC1CCCCC1)Cc1ccsc1.
What is the InChIKey of 3-(2-bromo-4-cyclohexylbutyl)thiophene?
The InChIKey is JIOUREBTAWQVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrS/c15-14(10-13-8-9-16-11-13)7-6-12-4-2-1-3-5-12/h8-9,11-12,14H,1-7,10H2.
What are the key properties of 3-(2-bromo-4-cyclohexylbutyl)thiophene?
3-(2-bromo-4-cyclohexylbutyl)thiophene has a molecular weight of 301.29 g/mol, XLogP of 5.41, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-4-cyclohexylbutyl)thiophene is sourced from PubChem (CID 63543076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).