2-[(4-bromonaphthalen-2-yl)methyl]-5-fluoro-1-benzothiophene

C19H12BrFS — CID 67156577

IUPAC2-[(4-bromonaphthalen-2-yl)methyl]-5-fluoro-1-benzothiophene
SMILESFc1ccc2sc(Cc3cc(Br)c4ccccc4c3)cc2c1
InChIInChI=1S/C19H12BrFS/c20-18-9-12(7-13-3-1-2-4-17(13)18)8-16-11-14-10-15(21)5-6-19(14)22-16/h1-7,9-11H,8H2
InChIKeyNINZUDDXABMXEZ-UHFFFAOYSA-N
MW371.27 g/mol
LogP6.55
Rot. Bonds2

About 2-[(4-bromonaphthalen-2-yl)methyl]-5-fluoro-1-benzothiophene

2-[(4-bromonaphthalen-2-yl)methyl]-5-fluoro-1-benzothiophene (PubChem CID 67156577) has the molecular formula C19H12BrFS and a molecular weight of 371.27 g/mol. Its IUPAC name is 2-[(4-bromonaphthalen-2-yl)methyl]-5-fluoro-1-benzothiophene.

Molecular Properties

Compound Name2-[(4-bromonaphthalen-2-yl)methyl]-5-fluoro-1-benzothiophene
PubChem CID67156577
Molecular FormulaC19H12BrFS
Molecular Weight371.27 g/mol
Exact Mass369.98
IUPAC Name2-[(4-bromonaphthalen-2-yl)methyl]-5-fluoro-1-benzothiophene
SMILESFc1ccc2sc(Cc3cc(Br)c4ccccc4c3)cc2c1
InChIInChI=1S/C19H12BrFS/c20-18-9-12(7-13-3-1-2-4-17(13)18)8-16-11-14-10-15(21)5-6-19(14)22-16/h1-7,9-11H,8H2
InChIKeyNINZUDDXABMXEZ-UHFFFAOYSA-N
XLogP6.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.27
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromonaphthalen-2-yl)methyl]-5-fluoro-1-benzothiophene?
The IUPAC name of 2-[(4-bromonaphthalen-2-yl)methyl]-5-fluoro-1-benzothiophene (CID 67156577) is 2-[(4-bromonaphthalen-2-yl)methyl]-5-fluoro-1-benzothiophene.
What is the SMILES notation for 2-[(4-bromonaphthalen-2-yl)methyl]-5-fluoro-1-benzothiophene?
The canonical SMILES for 2-[(4-bromonaphthalen-2-yl)methyl]-5-fluoro-1-benzothiophene is Fc1ccc2sc(Cc3cc(Br)c4ccccc4c3)cc2c1.
What is the InChIKey of 2-[(4-bromonaphthalen-2-yl)methyl]-5-fluoro-1-benzothiophene?
The InChIKey is NINZUDDXABMXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12BrFS/c20-18-9-12(7-13-3-1-2-4-17(13)18)8-16-11-14-10-15(21)5-6-19(14)22-16/h1-7,9-11H,8H2.
What are the key properties of 2-[(4-bromonaphthalen-2-yl)methyl]-5-fluoro-1-benzothiophene?
2-[(4-bromonaphthalen-2-yl)methyl]-5-fluoro-1-benzothiophene has a molecular weight of 371.27 g/mol, XLogP of 6.55, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromonaphthalen-2-yl)methyl]-5-fluoro-1-benzothiophene is sourced from PubChem (CID 67156577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).