[3-(benzenesulfinyl)-3,3-difluoropropyl]benzene

C15H14F2OS — CID 11277474

IUPAC[3-(benzenesulfinyl)-3,3-difluoropropyl]benzene
SMILESO=S(c1ccccc1)C(F)(F)CCc1ccccc1
InChIInChI=1S/C15H14F2OS/c16-15(17,12-11-13-7-3-1-4-8-13)19(18)14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKeyYCOAVCGYHUWVKP-UHFFFAOYSA-N
MW280.34 g/mol
LogP4.02
Rot. Bonds5

About [3-(benzenesulfinyl)-3,3-difluoropropyl]benzene

[3-(benzenesulfinyl)-3,3-difluoropropyl]benzene (PubChem CID 11277474) has the molecular formula C15H14F2OS and a molecular weight of 280.34 g/mol. Its IUPAC name is [3-(benzenesulfinyl)-3,3-difluoropropyl]benzene.

Molecular Properties

Compound Name[3-(benzenesulfinyl)-3,3-difluoropropyl]benzene
PubChem CID11277474
Molecular FormulaC15H14F2OS
Molecular Weight280.34 g/mol
Exact Mass280.07
IUPAC Name[3-(benzenesulfinyl)-3,3-difluoropropyl]benzene
SMILESO=S(c1ccccc1)C(F)(F)CCc1ccccc1
InChIInChI=1S/C15H14F2OS/c16-15(17,12-11-13-7-3-1-4-8-13)19(18)14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKeyYCOAVCGYHUWVKP-UHFFFAOYSA-N
XLogP4.02
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [3-(benzenesulfinyl)-3,3-difluoropropyl]benzene?
The IUPAC name of [3-(benzenesulfinyl)-3,3-difluoropropyl]benzene (CID 11277474) is [3-(benzenesulfinyl)-3,3-difluoropropyl]benzene.
What is the SMILES notation for [3-(benzenesulfinyl)-3,3-difluoropropyl]benzene?
The canonical SMILES for [3-(benzenesulfinyl)-3,3-difluoropropyl]benzene is O=S(c1ccccc1)C(F)(F)CCc1ccccc1.
What is the InChIKey of [3-(benzenesulfinyl)-3,3-difluoropropyl]benzene?
The InChIKey is YCOAVCGYHUWVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2OS/c16-15(17,12-11-13-7-3-1-4-8-13)19(18)14-9-5-2-6-10-14/h1-10H,11-12H2.
What are the key properties of [3-(benzenesulfinyl)-3,3-difluoropropyl]benzene?
[3-(benzenesulfinyl)-3,3-difluoropropyl]benzene has a molecular weight of 280.34 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(benzenesulfinyl)-3,3-difluoropropyl]benzene is sourced from PubChem (CID 11277474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).