1-(difluoromethylsulfanyl)-4-phenylbenzene

C13H10F2S — CID 18786407

IUPAC1-(difluoromethylsulfanyl)-4-phenylbenzene
SMILESFC(F)Sc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C13H10F2S/c14-13(15)16-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,13H
InChIKeyVWCHEEZABHYZJD-UHFFFAOYSA-N
MW236.29 g/mol
LogP4.67
Rot. Bonds3

About 1-(difluoromethylsulfanyl)-4-phenylbenzene

1-(difluoromethylsulfanyl)-4-phenylbenzene (PubChem CID 18786407) has the molecular formula C13H10F2S and a molecular weight of 236.29 g/mol. Its IUPAC name is 1-(difluoromethylsulfanyl)-4-phenylbenzene.

Molecular Properties

Compound Name1-(difluoromethylsulfanyl)-4-phenylbenzene
PubChem CID18786407
Molecular FormulaC13H10F2S
Molecular Weight236.29 g/mol
Exact Mass236.05
IUPAC Name1-(difluoromethylsulfanyl)-4-phenylbenzene
SMILESFC(F)Sc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C13H10F2S/c14-13(15)16-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,13H
InChIKeyVWCHEEZABHYZJD-UHFFFAOYSA-N
XLogP4.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethylsulfanyl)-4-phenylbenzene?
The IUPAC name of 1-(difluoromethylsulfanyl)-4-phenylbenzene (CID 18786407) is 1-(difluoromethylsulfanyl)-4-phenylbenzene.
What is the SMILES notation for 1-(difluoromethylsulfanyl)-4-phenylbenzene?
The canonical SMILES for 1-(difluoromethylsulfanyl)-4-phenylbenzene is FC(F)Sc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-(difluoromethylsulfanyl)-4-phenylbenzene?
The InChIKey is VWCHEEZABHYZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2S/c14-13(15)16-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,13H.
What are the key properties of 1-(difluoromethylsulfanyl)-4-phenylbenzene?
1-(difluoromethylsulfanyl)-4-phenylbenzene has a molecular weight of 236.29 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethylsulfanyl)-4-phenylbenzene is sourced from PubChem (CID 18786407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).