2-(2-bromo-2-cyclohexylethyl)thiophene

C12H17BrS — CID 63543626

IUPAC2-(2-bromo-2-cyclohexylethyl)thiophene
SMILESBrC(Cc1cccs1)C1CCCCC1
InChIInChI=1S/C12H17BrS/c13-12(9-11-7-4-8-14-11)10-5-2-1-3-6-10/h4,7-8,10,12H,1-3,5-6,9H2
InChIKeyKNTYWDQWKNUVCB-UHFFFAOYSA-N
MW273.24 g/mol
LogP4.63
Rot. Bonds3

About 2-(2-bromo-2-cyclohexylethyl)thiophene

2-(2-bromo-2-cyclohexylethyl)thiophene (PubChem CID 63543626) has the molecular formula C12H17BrS and a molecular weight of 273.24 g/mol. Its IUPAC name is 2-(2-bromo-2-cyclohexylethyl)thiophene.

Molecular Properties

Compound Name2-(2-bromo-2-cyclohexylethyl)thiophene
PubChem CID63543626
Molecular FormulaC12H17BrS
Molecular Weight273.24 g/mol
Exact Mass272.02
IUPAC Name2-(2-bromo-2-cyclohexylethyl)thiophene
SMILESBrC(Cc1cccs1)C1CCCCC1
InChIInChI=1S/C12H17BrS/c13-12(9-11-7-4-8-14-11)10-5-2-1-3-6-10/h4,7-8,10,12H,1-3,5-6,9H2
InChIKeyKNTYWDQWKNUVCB-UHFFFAOYSA-N
XLogP4.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.24
LogP ≤ 54.63
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

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CID 114458094
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CID 61066233
N-(1,2-dithiophen-2-ylethyl)cyclohexanamine
CID 43756050
1-cyclopentyl-N-ethyl-2-thiophen-2-ylethanamine
CID 61065338
N-(1-cyclohexylethyl)-1,2-dithiophen-2-ylethanamine
CID 63478173
N-[(1R)-1-cyclohexylethyl]-1,2-dithiophen-2-ylethanamine
CID 81391508
2-(2-cyclopentyl-2-naphthalen-2-ylethyl)thiophene
CID 57095909
1-cyclohexyl-N-(thiophen-2-ylmethyl)ethanamine
CID 43769306
N-(1-cyclopentyl-2-thiophen-2-ylethyl)propan-1-amine
CID 61064990
1-cyclohexyl-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride
CID 69253507
N-(thiophen-2-ylmethyl)cycloheptanamine
CID 4719997
2-(3-bromo-4-thiophen-2-ylbutyl)oxane
CID 63950801

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-2-cyclohexylethyl)thiophene?
The IUPAC name of 2-(2-bromo-2-cyclohexylethyl)thiophene (CID 63543626) is 2-(2-bromo-2-cyclohexylethyl)thiophene.
What is the SMILES notation for 2-(2-bromo-2-cyclohexylethyl)thiophene?
The canonical SMILES for 2-(2-bromo-2-cyclohexylethyl)thiophene is BrC(Cc1cccs1)C1CCCCC1.
What is the InChIKey of 2-(2-bromo-2-cyclohexylethyl)thiophene?
The InChIKey is KNTYWDQWKNUVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrS/c13-12(9-11-7-4-8-14-11)10-5-2-1-3-6-10/h4,7-8,10,12H,1-3,5-6,9H2.
What are the key properties of 2-(2-bromo-2-cyclohexylethyl)thiophene?
2-(2-bromo-2-cyclohexylethyl)thiophene has a molecular weight of 273.24 g/mol, XLogP of 4.63, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-2-cyclohexylethyl)thiophene is sourced from PubChem (CID 63543626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).