2-bromo-4-(1-bromo-2-naphthalen-1-ylethyl)thiophene

C16H12Br2S — CID 107965768

IUPAC2-bromo-4-(1-bromo-2-naphthalen-1-ylethyl)thiophene
SMILESBrc1cc(C(Br)Cc2cccc3ccccc23)cs1
InChIInChI=1S/C16H12Br2S/c17-15(13-9-16(18)19-10-13)8-12-6-3-5-11-4-1-2-7-14(11)12/h1-7,9-10,15H,8H2
InChIKeySPZFCLGSSYYOMI-UHFFFAOYSA-N
MW396.15 g/mol
LogP6.34
Rot. Bonds3

About 2-bromo-4-(1-bromo-2-naphthalen-1-ylethyl)thiophene

2-bromo-4-(1-bromo-2-naphthalen-1-ylethyl)thiophene (PubChem CID 107965768) has the molecular formula C16H12Br2S and a molecular weight of 396.15 g/mol. Its IUPAC name is 2-bromo-4-(1-bromo-2-naphthalen-1-ylethyl)thiophene.

Molecular Properties

Compound Name2-bromo-4-(1-bromo-2-naphthalen-1-ylethyl)thiophene
PubChem CID107965768
Molecular FormulaC16H12Br2S
Molecular Weight396.15 g/mol
Exact Mass393.90
IUPAC Name2-bromo-4-(1-bromo-2-naphthalen-1-ylethyl)thiophene
SMILESBrc1cc(C(Br)Cc2cccc3ccccc23)cs1
InChIInChI=1S/C16H12Br2S/c17-15(13-9-16(18)19-10-13)8-12-6-3-5-11-4-1-2-7-14(11)12/h1-7,9-10,15H,8H2
InChIKeySPZFCLGSSYYOMI-UHFFFAOYSA-N
XLogP6.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.15
LogP ≤ 56.34
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

2,5-dibromo-3-(1-bromo-2-naphthalen-1-ylethyl)thiophene
CID 107965769
1-[2-bromo-2-(4-bromo-3-chlorophenyl)ethyl]naphthalene
CID 81294123
1-[2-bromo-2-(3-bromo-4-methylphenyl)ethyl]naphthalene
CID 81476246
1-[2-bromo-2-(4-chlorophenyl)ethyl]naphthalene
CID 63543264
1-[2-bromo-2-(2,5-dibromophenyl)ethyl]naphthalene
CID 114375566
2-bromo-3-(1-bromo-2-naphthalen-1-ylethyl)furan
CID 106856014
1-(5-methylthiophen-3-yl)-2-naphthalen-1-ylethanamine
CID 105155456
5-(1-bromo-2-naphthalen-1-ylethyl)-2,3-dimethylthiophene
CID 65238268
1-[2-bromo-2-(2-bromo-5-methylphenyl)ethyl]naphthalene
CID 81116817
1-(4-bromothiophen-2-yl)-3-naphthalen-1-ylpropan-2-amine
CID 105139176
2-bromo-4-[1-bromo-2-(4-chlorophenyl)ethyl]thiophene
CID 107965781
1-(4,5-dibromothiophen-2-yl)-2-naphthalen-1-ylethanamine
CID 80536710

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(1-bromo-2-naphthalen-1-ylethyl)thiophene?
The IUPAC name of 2-bromo-4-(1-bromo-2-naphthalen-1-ylethyl)thiophene (CID 107965768) is 2-bromo-4-(1-bromo-2-naphthalen-1-ylethyl)thiophene.
What is the SMILES notation for 2-bromo-4-(1-bromo-2-naphthalen-1-ylethyl)thiophene?
The canonical SMILES for 2-bromo-4-(1-bromo-2-naphthalen-1-ylethyl)thiophene is Brc1cc(C(Br)Cc2cccc3ccccc23)cs1.
What is the InChIKey of 2-bromo-4-(1-bromo-2-naphthalen-1-ylethyl)thiophene?
The InChIKey is SPZFCLGSSYYOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Br2S/c17-15(13-9-16(18)19-10-13)8-12-6-3-5-11-4-1-2-7-14(11)12/h1-7,9-10,15H,8H2.
What are the key properties of 2-bromo-4-(1-bromo-2-naphthalen-1-ylethyl)thiophene?
2-bromo-4-(1-bromo-2-naphthalen-1-ylethyl)thiophene has a molecular weight of 396.15 g/mol, XLogP of 6.34, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(1-bromo-2-naphthalen-1-ylethyl)thiophene is sourced from PubChem (CID 107965768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).