3-fluoro-4-(phenylsulfanylmethyl)-1,2-dihydronaphthalene

C17H15FS — CID 102310937

IUPAC3-fluoro-4-(phenylsulfanylmethyl)-1,2-dihydronaphthalene
SMILESFC1=C(CSc2ccccc2)c2ccccc2CC1
InChIInChI=1S/C17H15FS/c18-17-11-10-13-6-4-5-9-15(13)16(17)12-19-14-7-2-1-3-8-14/h1-9H,10-12H2
InChIKeyFBEZWKVMKUNVRS-UHFFFAOYSA-N
MW270.37 g/mol
LogP5.11
Rot. Bonds3

About 3-fluoro-4-(phenylsulfanylmethyl)-1,2-dihydronaphthalene

3-fluoro-4-(phenylsulfanylmethyl)-1,2-dihydronaphthalene (PubChem CID 102310937) has the molecular formula C17H15FS and a molecular weight of 270.37 g/mol. Its IUPAC name is 3-fluoro-4-(phenylsulfanylmethyl)-1,2-dihydronaphthalene.

Molecular Properties

Compound Name3-fluoro-4-(phenylsulfanylmethyl)-1,2-dihydronaphthalene
PubChem CID102310937
Molecular FormulaC17H15FS
Molecular Weight270.37 g/mol
Exact Mass270.09
IUPAC Name3-fluoro-4-(phenylsulfanylmethyl)-1,2-dihydronaphthalene
SMILESFC1=C(CSc2ccccc2)c2ccccc2CC1
InChIInChI=1S/C17H15FS/c18-17-11-10-13-6-4-5-9-15(13)16(17)12-19-14-7-2-1-3-8-14/h1-9H,10-12H2
InChIKeyFBEZWKVMKUNVRS-UHFFFAOYSA-N
XLogP5.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.37
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(phenylsulfanylmethyl)-1,2-dihydronaphthalene?
The IUPAC name of 3-fluoro-4-(phenylsulfanylmethyl)-1,2-dihydronaphthalene (CID 102310937) is 3-fluoro-4-(phenylsulfanylmethyl)-1,2-dihydronaphthalene.
What is the SMILES notation for 3-fluoro-4-(phenylsulfanylmethyl)-1,2-dihydronaphthalene?
The canonical SMILES for 3-fluoro-4-(phenylsulfanylmethyl)-1,2-dihydronaphthalene is FC1=C(CSc2ccccc2)c2ccccc2CC1.
What is the InChIKey of 3-fluoro-4-(phenylsulfanylmethyl)-1,2-dihydronaphthalene?
The InChIKey is FBEZWKVMKUNVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FS/c18-17-11-10-13-6-4-5-9-15(13)16(17)12-19-14-7-2-1-3-8-14/h1-9H,10-12H2.
What are the key properties of 3-fluoro-4-(phenylsulfanylmethyl)-1,2-dihydronaphthalene?
3-fluoro-4-(phenylsulfanylmethyl)-1,2-dihydronaphthalene has a molecular weight of 270.37 g/mol, XLogP of 5.11, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(phenylsulfanylmethyl)-1,2-dihydronaphthalene is sourced from PubChem (CID 102310937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).