2-bromo-5-[(4-tert-butylcyclohexyl)-chloromethyl]thiophene

C15H22BrClS — CID 63435194

IUPAC2-bromo-5-[(4-tert-butylcyclohexyl)-chloromethyl]thiophene
SMILESCC(C)(C)C1CCC(C(Cl)c2ccc(Br)s2)CC1
InChIInChI=1S/C15H22BrClS/c1-15(2,3)11-6-4-10(5-7-11)14(17)12-8-9-13(16)18-12/h8-11,14H,4-7H2,1-3H3
InChIKeyALRPKSWJIVMKOB-UHFFFAOYSA-N
MW349.77 g/mol
LogP6.64
Rot. Bonds2

About 2-bromo-5-[(4-tert-butylcyclohexyl)-chloromethyl]thiophene

2-bromo-5-[(4-tert-butylcyclohexyl)-chloromethyl]thiophene (PubChem CID 63435194) has the molecular formula C15H22BrClS and a molecular weight of 349.77 g/mol. Its IUPAC name is 2-bromo-5-[(4-tert-butylcyclohexyl)-chloromethyl]thiophene.

Molecular Properties

Compound Name2-bromo-5-[(4-tert-butylcyclohexyl)-chloromethyl]thiophene
PubChem CID63435194
Molecular FormulaC15H22BrClS
Molecular Weight349.77 g/mol
Exact Mass348.03
IUPAC Name2-bromo-5-[(4-tert-butylcyclohexyl)-chloromethyl]thiophene
SMILESCC(C)(C)C1CCC(C(Cl)c2ccc(Br)s2)CC1
InChIInChI=1S/C15H22BrClS/c1-15(2,3)11-6-4-10(5-7-11)14(17)12-8-9-13(16)18-12/h8-11,14H,4-7H2,1-3H3
InChIKeyALRPKSWJIVMKOB-UHFFFAOYSA-N
XLogP6.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.77
LogP ≤ 56.64
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

2-bromo-5-[chloro(cyclopropyl)methyl]thiophene
CID 61085489
(5-bromothiophen-2-yl)-(4-tert-butylcyclohexyl)methanamine
CID 63501690
3-[(5-bromothiophen-2-yl)-chloromethyl]oxolane
CID 61279950
2-bromo-5-[chloro-(2-methylcyclopentyl)methyl]thiophene
CID 107182115
1-(4-tert-butylcyclohexyl)-1-(5-chlorothiophen-2-yl)-N-methylmethanamine
CID 55196430
[(4-tert-butylcyclohexyl)-(5-methylthiophen-2-yl)methyl]hydrazine
CID 105232678
N-[1-(5-bromothiophen-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 54898262
1-amino-1-(5-bromothiophen-2-yl)-2-methylpropan-2-ol
CID 83693253
1-tert-butyl-4-(1-chloro-2,2-dimethylpropyl)cyclohexane
CID 57084421
2-[chloro(cyclobutyl)methyl]-5-ethylthiophene
CID 61082733
2-[(4-butylcyclohexyl)-chloromethyl]-5-ethylthiophene
CID 63430681
(1S)-N-[1-(5-bromothiophen-2-yl)ethyl]-1-cyclohexylethanamine
CID 81386958

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[(4-tert-butylcyclohexyl)-chloromethyl]thiophene?
The IUPAC name of 2-bromo-5-[(4-tert-butylcyclohexyl)-chloromethyl]thiophene (CID 63435194) is 2-bromo-5-[(4-tert-butylcyclohexyl)-chloromethyl]thiophene.
What is the SMILES notation for 2-bromo-5-[(4-tert-butylcyclohexyl)-chloromethyl]thiophene?
The canonical SMILES for 2-bromo-5-[(4-tert-butylcyclohexyl)-chloromethyl]thiophene is CC(C)(C)C1CCC(C(Cl)c2ccc(Br)s2)CC1.
What is the InChIKey of 2-bromo-5-[(4-tert-butylcyclohexyl)-chloromethyl]thiophene?
The InChIKey is ALRPKSWJIVMKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrClS/c1-15(2,3)11-6-4-10(5-7-11)14(17)12-8-9-13(16)18-12/h8-11,14H,4-7H2,1-3H3.
What are the key properties of 2-bromo-5-[(4-tert-butylcyclohexyl)-chloromethyl]thiophene?
2-bromo-5-[(4-tert-butylcyclohexyl)-chloromethyl]thiophene has a molecular weight of 349.77 g/mol, XLogP of 6.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[(4-tert-butylcyclohexyl)-chloromethyl]thiophene is sourced from PubChem (CID 63435194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).