2-bromo-5-(1-bromo-2-naphthalen-2-ylethyl)thiophene

C16H12Br2S — CID 63544447

IUPAC2-bromo-5-(1-bromo-2-naphthalen-2-ylethyl)thiophene
SMILESBrc1ccc(C(Br)Cc2ccc3ccccc3c2)s1
InChIInChI=1S/C16H12Br2S/c17-14(15-7-8-16(18)19-15)10-11-5-6-12-3-1-2-4-13(12)9-11/h1-9,14H,10H2
InChIKeyHISNZVACBGYCEB-UHFFFAOYSA-N
MW396.15 g/mol
LogP6.34
Rot. Bonds3

About 2-bromo-5-(1-bromo-2-naphthalen-2-ylethyl)thiophene

2-bromo-5-(1-bromo-2-naphthalen-2-ylethyl)thiophene (PubChem CID 63544447) has the molecular formula C16H12Br2S and a molecular weight of 396.15 g/mol. Its IUPAC name is 2-bromo-5-(1-bromo-2-naphthalen-2-ylethyl)thiophene.

Molecular Properties

Compound Name2-bromo-5-(1-bromo-2-naphthalen-2-ylethyl)thiophene
PubChem CID63544447
Molecular FormulaC16H12Br2S
Molecular Weight396.15 g/mol
Exact Mass393.90
IUPAC Name2-bromo-5-(1-bromo-2-naphthalen-2-ylethyl)thiophene
SMILESBrc1ccc(C(Br)Cc2ccc3ccccc3c2)s1
InChIInChI=1S/C16H12Br2S/c17-14(15-7-8-16(18)19-15)10-11-5-6-12-3-1-2-4-13(12)9-11/h1-9,14H,10H2
InChIKeyHISNZVACBGYCEB-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-2-ylethyl)thiophene
CID 107965761
2-[2-bromo-2-(3,5-dimethylphenyl)ethyl]naphthalene
CID 63543067
2-[2-bromo-2-(2,6-dichlorophenyl)ethyl]naphthalene
CID 63542887
2-bromo-5-[1-bromo-2-(2-methoxyphenyl)ethyl]thiophene
CID 63443929
2-[2-bromo-2-(3-iodophenyl)ethyl]naphthalene
CID 63544103
1-(4-bromothiophen-3-yl)-2-naphthalen-2-ylethanol
CID 105113172
1-(3-bromothiophen-2-yl)-2-naphthalen-2-ylethanamine
CID 63797585
1-(2-bromophenyl)-N-methyl-2-naphthalen-2-ylethanamine
CID 63529102
1-(2-bromofuran-3-yl)-2-naphthalen-2-ylethanamine
CID 106854636
2-bromo-5-(1-bromo-3-methylbutyl)thiophene
CID 63444379
2-[1-bromo-2-(4-fluorophenyl)ethyl]naphthalene
CID 63542085
2-(2-bromo-2-cyclopentylethyl)naphthalene
CID 63543408

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(1-bromo-2-naphthalen-2-ylethyl)thiophene?
The IUPAC name of 2-bromo-5-(1-bromo-2-naphthalen-2-ylethyl)thiophene (CID 63544447) is 2-bromo-5-(1-bromo-2-naphthalen-2-ylethyl)thiophene.
What is the SMILES notation for 2-bromo-5-(1-bromo-2-naphthalen-2-ylethyl)thiophene?
The canonical SMILES for 2-bromo-5-(1-bromo-2-naphthalen-2-ylethyl)thiophene is Brc1ccc(C(Br)Cc2ccc3ccccc3c2)s1.
What is the InChIKey of 2-bromo-5-(1-bromo-2-naphthalen-2-ylethyl)thiophene?
The InChIKey is HISNZVACBGYCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Br2S/c17-14(15-7-8-16(18)19-15)10-11-5-6-12-3-1-2-4-13(12)9-11/h1-9,14H,10H2.
What are the key properties of 2-bromo-5-(1-bromo-2-naphthalen-2-ylethyl)thiophene?
2-bromo-5-(1-bromo-2-naphthalen-2-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-5-(1-bromo-2-naphthalen-2-ylethyl)thiophene is sourced from PubChem (CID 63544447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).