1-[[(E)-2-(4-fluorophenyl)ethenyl]sulfinylmethyl]naphthalene

C19H15FOS — CID 11370324

IUPAC1-[[(E)-2-(4-fluorophenyl)ethenyl]sulfinylmethyl]naphthalene
SMILESO=S(/C=C/c1ccc(F)cc1)Cc1cccc2ccccc12
InChIInChI=1S/C19H15FOS/c20-18-10-8-15(9-11-18)12-13-22(21)14-17-6-3-5-16-4-1-2-7-19(16)17/h1-13H,14H2/b13-12+
InChIKeyVJIJXNIBGOPISR-OUKQBFOZSA-N
MW310.39 g/mol
LogP4.90
Rot. Bonds4

About 1-[[(E)-2-(4-fluorophenyl)ethenyl]sulfinylmethyl]naphthalene

1-[[(E)-2-(4-fluorophenyl)ethenyl]sulfinylmethyl]naphthalene (PubChem CID 11370324) has the molecular formula C19H15FOS and a molecular weight of 310.39 g/mol. Its IUPAC name is 1-[[(E)-2-(4-fluorophenyl)ethenyl]sulfinylmethyl]naphthalene.

Molecular Properties

Compound Name1-[[(E)-2-(4-fluorophenyl)ethenyl]sulfinylmethyl]naphthalene
PubChem CID11370324
Molecular FormulaC19H15FOS
Molecular Weight310.39 g/mol
Exact Mass310.08
IUPAC Name1-[[(E)-2-(4-fluorophenyl)ethenyl]sulfinylmethyl]naphthalene
SMILESO=S(/C=C/c1ccc(F)cc1)Cc1cccc2ccccc12
InChIInChI=1S/C19H15FOS/c20-18-10-8-15(9-11-18)12-13-22(21)14-17-6-3-5-16-4-1-2-7-19(16)17/h1-13H,14H2/b13-12+
InChIKeyVJIJXNIBGOPISR-OUKQBFOZSA-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 1-[[(E)-2-(4-fluorophenyl)ethenyl]sulfinylmethyl]naphthalene?
The IUPAC name of 1-[[(E)-2-(4-fluorophenyl)ethenyl]sulfinylmethyl]naphthalene (CID 11370324) is 1-[[(E)-2-(4-fluorophenyl)ethenyl]sulfinylmethyl]naphthalene.
What is the SMILES notation for 1-[[(E)-2-(4-fluorophenyl)ethenyl]sulfinylmethyl]naphthalene?
The canonical SMILES for 1-[[(E)-2-(4-fluorophenyl)ethenyl]sulfinylmethyl]naphthalene is O=S(/C=C/c1ccc(F)cc1)Cc1cccc2ccccc12.
What is the InChIKey of 1-[[(E)-2-(4-fluorophenyl)ethenyl]sulfinylmethyl]naphthalene?
The InChIKey is VJIJXNIBGOPISR-OUKQBFOZSA-N. The full InChI is InChI=1S/C19H15FOS/c20-18-10-8-15(9-11-18)12-13-22(21)14-17-6-3-5-16-4-1-2-7-19(16)17/h1-13H,14H2/b13-12+.
What are the key properties of 1-[[(E)-2-(4-fluorophenyl)ethenyl]sulfinylmethyl]naphthalene?
1-[[(E)-2-(4-fluorophenyl)ethenyl]sulfinylmethyl]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 1-[[(E)-2-(4-fluorophenyl)ethenyl]sulfinylmethyl]naphthalene is sourced from PubChem (CID 11370324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).