2-bromo-4-[chloro(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]thiophene

C15H14BrClS — CID 114021592

IUPAC2-bromo-4-[chloro(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]thiophene
SMILESClC(c1csc(Br)c1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C15H14BrClS/c16-14-8-13(9-18-14)15(17)12-6-5-10-3-1-2-4-11(10)7-12/h5-9,15H,1-4H2
InChIKeyPBADKMNYVBNGNA-UHFFFAOYSA-N
MW341.70 g/mol
LogP5.72
Rot. Bonds2

About 2-bromo-4-[chloro(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]thiophene

2-bromo-4-[chloro(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]thiophene (PubChem CID 114021592) has the molecular formula C15H14BrClS and a molecular weight of 341.70 g/mol. Its IUPAC name is 2-bromo-4-[chloro(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]thiophene.

Molecular Properties

Compound Name2-bromo-4-[chloro(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]thiophene
PubChem CID114021592
Molecular FormulaC15H14BrClS
Molecular Weight341.70 g/mol
Exact Mass339.97
IUPAC Name2-bromo-4-[chloro(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]thiophene
SMILESClC(c1csc(Br)c1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C15H14BrClS/c16-14-8-13(9-18-14)15(17)12-6-5-10-3-1-2-4-11(10)7-12/h5-9,15H,1-4H2
InChIKeyPBADKMNYVBNGNA-UHFFFAOYSA-N
XLogP5.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.70
LogP ≤ 55.72
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-4-[chloro(2,3-dihydro-1H-inden-5-yl)methyl]thiophene
CID 107964507
2-bromo-4-[bromo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]thiophene
CID 107964594
5-[(4-bromophenyl)-chloromethyl]-2,3-dihydro-1H-indene
CID 63429122
7-[(5-bromothiophen-3-yl)-chloromethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 107964552
6-[chloro-(3,4-dichlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63430631
6-[chloro-(4-propan-2-ylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63431080
2-bromo-4-[(3-bromo-4-fluorophenyl)-chloromethyl]thiophene
CID 107964882
2-bromo-4-[chloro-(4-ethylphenyl)methyl]thiophene
CID 107964496
6-[chloro-(3-chloro-4-iodophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 103210512
3-[chloro(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]furan
CID 63431176
6-[(5-bromothiophen-3-yl)-chloromethyl]-1,4-dihydroquinoxaline-2,3-dione
CID 107964474
5-[chloro-(3,5-difluorophenyl)methyl]-2,3-dihydro-1H-indene
CID 55198708

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[chloro(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]thiophene?
The IUPAC name of 2-bromo-4-[chloro(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]thiophene (CID 114021592) is 2-bromo-4-[chloro(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]thiophene.
What is the SMILES notation for 2-bromo-4-[chloro(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]thiophene?
The canonical SMILES for 2-bromo-4-[chloro(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]thiophene is ClC(c1csc(Br)c1)c1ccc2c(c1)CCCC2.
What is the InChIKey of 2-bromo-4-[chloro(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]thiophene?
The InChIKey is PBADKMNYVBNGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClS/c16-14-8-13(9-18-14)15(17)12-6-5-10-3-1-2-4-11(10)7-12/h5-9,15H,1-4H2.
What are the key properties of 2-bromo-4-[chloro(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]thiophene?
2-bromo-4-[chloro(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]thiophene has a molecular weight of 341.70 g/mol, XLogP of 5.72, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[chloro(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]thiophene is sourced from PubChem (CID 114021592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).