2-[(E)-2-[(4-fluorophenyl)methylsulfinyl]ethenyl]naphthalene

C19H15FOS — CID 68560807

IUPAC2-[(E)-2-[(4-fluorophenyl)methylsulfinyl]ethenyl]naphthalene
SMILESO=S(/C=C/c1ccc2ccccc2c1)Cc1ccc(F)cc1
InChIInChI=1S/C19H15FOS/c20-19-9-6-16(7-10-19)14-22(21)12-11-15-5-8-17-3-1-2-4-18(17)13-15/h1-13H,14H2/b12-11+
InChIKeyVJKYKJNOHVBKSY-VAWYXSNFSA-N
MW310.39 g/mol
LogP4.90
Rot. Bonds4

About 2-[(E)-2-[(4-fluorophenyl)methylsulfinyl]ethenyl]naphthalene

2-[(E)-2-[(4-fluorophenyl)methylsulfinyl]ethenyl]naphthalene (PubChem CID 68560807) has the molecular formula C19H15FOS and a molecular weight of 310.39 g/mol. Its IUPAC name is 2-[(E)-2-[(4-fluorophenyl)methylsulfinyl]ethenyl]naphthalene.

Molecular Properties

Compound Name2-[(E)-2-[(4-fluorophenyl)methylsulfinyl]ethenyl]naphthalene
PubChem CID68560807
Molecular FormulaC19H15FOS
Molecular Weight310.39 g/mol
Exact Mass310.08
IUPAC Name2-[(E)-2-[(4-fluorophenyl)methylsulfinyl]ethenyl]naphthalene
SMILESO=S(/C=C/c1ccc2ccccc2c1)Cc1ccc(F)cc1
InChIInChI=1S/C19H15FOS/c20-19-9-6-16(7-10-19)14-22(21)12-11-15-5-8-17-3-1-2-4-18(17)13-15/h1-13H,14H2/b12-11+
InChIKeyVJKYKJNOHVBKSY-VAWYXSNFSA-N
XLogP4.90
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-[(4-fluorophenyl)methylsulfinyl]ethenyl]naphthalene?
The IUPAC name of 2-[(E)-2-[(4-fluorophenyl)methylsulfinyl]ethenyl]naphthalene (CID 68560807) is 2-[(E)-2-[(4-fluorophenyl)methylsulfinyl]ethenyl]naphthalene.
What is the SMILES notation for 2-[(E)-2-[(4-fluorophenyl)methylsulfinyl]ethenyl]naphthalene?
The canonical SMILES for 2-[(E)-2-[(4-fluorophenyl)methylsulfinyl]ethenyl]naphthalene is O=S(/C=C/c1ccc2ccccc2c1)Cc1ccc(F)cc1.
What is the InChIKey of 2-[(E)-2-[(4-fluorophenyl)methylsulfinyl]ethenyl]naphthalene?
The InChIKey is VJKYKJNOHVBKSY-VAWYXSNFSA-N. The full InChI is InChI=1S/C19H15FOS/c20-19-9-6-16(7-10-19)14-22(21)12-11-15-5-8-17-3-1-2-4-18(17)13-15/h1-13H,14H2/b12-11+.
What are the key properties of 2-[(E)-2-[(4-fluorophenyl)methylsulfinyl]ethenyl]naphthalene?
2-[(E)-2-[(4-fluorophenyl)methylsulfinyl]ethenyl]naphthalene has a molecular weight of 310.39 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-[(4-fluorophenyl)methylsulfinyl]ethenyl]naphthalene is sourced from PubChem (CID 68560807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).