1-fluoro-4-[(R)-phenyl(phenylsulfanyl)methyl]benzene

C19H15FS — CID 134849362

IUPAC1-fluoro-4-[(R)-phenyl(phenylsulfanyl)methyl]benzene
SMILESFc1ccc([C@H](Sc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C19H15FS/c20-17-13-11-16(12-14-17)19(15-7-3-1-4-8-15)21-18-9-5-2-6-10-18/h1-14,19H/t19-/m1/s1
InChIKeyKUPVCDIYFBTEMY-LJQANCHMSA-N
MW294.39 g/mol
LogP5.71
Rot. Bonds4

About 1-fluoro-4-[(R)-phenyl(phenylsulfanyl)methyl]benzene

1-fluoro-4-[(R)-phenyl(phenylsulfanyl)methyl]benzene (PubChem CID 134849362) has the molecular formula C19H15FS and a molecular weight of 294.39 g/mol. Its IUPAC name is 1-fluoro-4-[(R)-phenyl(phenylsulfanyl)methyl]benzene.

Molecular Properties

Compound Name1-fluoro-4-[(R)-phenyl(phenylsulfanyl)methyl]benzene
PubChem CID134849362
Molecular FormulaC19H15FS
Molecular Weight294.39 g/mol
Exact Mass294.09
IUPAC Name1-fluoro-4-[(R)-phenyl(phenylsulfanyl)methyl]benzene
SMILESFc1ccc([C@H](Sc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C19H15FS/c20-17-13-11-16(12-14-17)19(15-7-3-1-4-8-15)21-18-9-5-2-6-10-18/h1-14,19H/t19-/m1/s1
InChIKeyKUPVCDIYFBTEMY-LJQANCHMSA-N
XLogP5.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.39
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[(R)-phenyl(phenylsulfanyl)methyl]benzene?
The IUPAC name of 1-fluoro-4-[(R)-phenyl(phenylsulfanyl)methyl]benzene (CID 134849362) is 1-fluoro-4-[(R)-phenyl(phenylsulfanyl)methyl]benzene.
What is the SMILES notation for 1-fluoro-4-[(R)-phenyl(phenylsulfanyl)methyl]benzene?
The canonical SMILES for 1-fluoro-4-[(R)-phenyl(phenylsulfanyl)methyl]benzene is Fc1ccc([C@H](Sc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-fluoro-4-[(R)-phenyl(phenylsulfanyl)methyl]benzene?
The InChIKey is KUPVCDIYFBTEMY-LJQANCHMSA-N. The full InChI is InChI=1S/C19H15FS/c20-17-13-11-16(12-14-17)19(15-7-3-1-4-8-15)21-18-9-5-2-6-10-18/h1-14,19H/t19-/m1/s1.
What are the key properties of 1-fluoro-4-[(R)-phenyl(phenylsulfanyl)methyl]benzene?
1-fluoro-4-[(R)-phenyl(phenylsulfanyl)methyl]benzene has a molecular weight of 294.39 g/mol, XLogP of 5.71, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[(R)-phenyl(phenylsulfanyl)methyl]benzene is sourced from PubChem (CID 134849362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).