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

C15H14Br2S — CID 107964594

IUPAC2-bromo-4-[bromo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]thiophene
SMILESBrc1cc(C(Br)c2ccc3c(c2)CCCC3)cs1
InChIInChI=1S/C15H14Br2S/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
InChIKeyAYCQAEYUNRLLBX-UHFFFAOYSA-N
MW386.15 g/mol
LogP5.87
Rot. Bonds2

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

2-bromo-4-[bromo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]thiophene (PubChem CID 107964594) has the molecular formula C15H14Br2S and a molecular weight of 386.15 g/mol. Its IUPAC name is 2-bromo-4-[bromo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]thiophene.

Molecular Properties

Compound Name2-bromo-4-[bromo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]thiophene
PubChem CID107964594
Molecular FormulaC15H14Br2S
Molecular Weight386.15 g/mol
Exact Mass383.92
IUPAC Name2-bromo-4-[bromo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]thiophene
SMILESBrc1cc(C(Br)c2ccc3c(c2)CCCC3)cs1
InChIInChI=1S/C15H14Br2S/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
InChIKeyAYCQAEYUNRLLBX-UHFFFAOYSA-N
XLogP5.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.15
LogP ≤ 55.87
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(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]thiophene
CID 114021592
2-bromo-4-[chloro(2,3-dihydro-1H-inden-5-yl)methyl]thiophene
CID 107964507
5-[bromo-(4-bromophenyl)methyl]-2,3-dihydro-1H-indene
CID 63439245
6-[bromo-(3-bromo-4-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 107957814
6-[bromo-(4-bromo-3-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63439086
6-[bromo-(2,5-dibromophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 114374963
2-bromo-4-[bromo-(3-bromo-4-fluorophenyl)methyl]thiophene
CID 107964883
6-(1-bromo-2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalene
CID 63439172
5-[bromo-(4-fluorophenyl)methyl]-2,3-dihydro-1H-indene
CID 63437148
5-[bromo-(3-bromo-4-methylphenyl)methyl]-2,3-dihydro-1H-indene
CID 81476485
2,3-dibromo-5-[bromo(2,3-dihydro-1H-inden-5-yl)methyl]thiophene
CID 80534520
6-[bromo-(2-bromo-4-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63439529

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[bromo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]thiophene?
The IUPAC name of 2-bromo-4-[bromo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]thiophene (CID 107964594) is 2-bromo-4-[bromo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]thiophene.
What is the SMILES notation for 2-bromo-4-[bromo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]thiophene?
The canonical SMILES for 2-bromo-4-[bromo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]thiophene is Brc1cc(C(Br)c2ccc3c(c2)CCCC3)cs1.
What is the InChIKey of 2-bromo-4-[bromo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]thiophene?
The InChIKey is AYCQAEYUNRLLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2S/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-[bromo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]thiophene?
2-bromo-4-[bromo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]thiophene has a molecular weight of 386.15 g/mol, XLogP of 5.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[bromo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]thiophene is sourced from PubChem (CID 107964594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).