1-(difluoromethylsulfinyl)-2-phenoxybenzene

C13H10F2O2S — CID 170781977

IUPAC1-(difluoromethylsulfinyl)-2-phenoxybenzene
SMILESO=S(c1ccccc1Oc1ccccc1)C(F)F
InChIInChI=1S/C13H10F2O2S/c14-13(15)18(16)12-9-5-4-8-11(12)17-10-6-2-1-3-7-10/h1-9,13H
InChIKeyOBWYZTOMXSNKHI-UHFFFAOYSA-N
MW268.28 g/mol
LogP3.81
Rot. Bonds4

About 1-(difluoromethylsulfinyl)-2-phenoxybenzene

1-(difluoromethylsulfinyl)-2-phenoxybenzene (PubChem CID 170781977) has the molecular formula C13H10F2O2S and a molecular weight of 268.28 g/mol. Its IUPAC name is 1-(difluoromethylsulfinyl)-2-phenoxybenzene.

Molecular Properties

Compound Name1-(difluoromethylsulfinyl)-2-phenoxybenzene
PubChem CID170781977
Molecular FormulaC13H10F2O2S
Molecular Weight268.28 g/mol
Exact Mass268.04
IUPAC Name1-(difluoromethylsulfinyl)-2-phenoxybenzene
SMILESO=S(c1ccccc1Oc1ccccc1)C(F)F
InChIInChI=1S/C13H10F2O2S/c14-13(15)18(16)12-9-5-4-8-11(12)17-10-6-2-1-3-7-10/h1-9,13H
InChIKeyOBWYZTOMXSNKHI-UHFFFAOYSA-N
XLogP3.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethylsulfinyl)-2-phenoxybenzene?
The IUPAC name of 1-(difluoromethylsulfinyl)-2-phenoxybenzene (CID 170781977) is 1-(difluoromethylsulfinyl)-2-phenoxybenzene.
What is the SMILES notation for 1-(difluoromethylsulfinyl)-2-phenoxybenzene?
The canonical SMILES for 1-(difluoromethylsulfinyl)-2-phenoxybenzene is O=S(c1ccccc1Oc1ccccc1)C(F)F.
What is the InChIKey of 1-(difluoromethylsulfinyl)-2-phenoxybenzene?
The InChIKey is OBWYZTOMXSNKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2O2S/c14-13(15)18(16)12-9-5-4-8-11(12)17-10-6-2-1-3-7-10/h1-9,13H.
What are the key properties of 1-(difluoromethylsulfinyl)-2-phenoxybenzene?
1-(difluoromethylsulfinyl)-2-phenoxybenzene has a molecular weight of 268.28 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethylsulfinyl)-2-phenoxybenzene is sourced from PubChem (CID 170781977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).