4-[4-(difluoromethylsulfanyl)phenyl]phenol

C13H10F2OS — CID 83128258

IUPAC4-[4-(difluoromethylsulfanyl)phenyl]phenol
SMILESOc1ccc(-c2ccc(SC(F)F)cc2)cc1
InChIInChI=1S/C13H10F2OS/c14-13(15)17-12-7-3-10(4-8-12)9-1-5-11(16)6-2-9/h1-8,13,16H
InChIKeyVYMMFQLROWJWSZ-UHFFFAOYSA-N
MW252.29 g/mol
LogP4.37
Rot. Bonds3

About 4-[4-(difluoromethylsulfanyl)phenyl]phenol

4-[4-(difluoromethylsulfanyl)phenyl]phenol (PubChem CID 83128258) has the molecular formula C13H10F2OS and a molecular weight of 252.29 g/mol. Its IUPAC name is 4-[4-(difluoromethylsulfanyl)phenyl]phenol.

Molecular Properties

Compound Name4-[4-(difluoromethylsulfanyl)phenyl]phenol
PubChem CID83128258
Molecular FormulaC13H10F2OS
Molecular Weight252.29 g/mol
Exact Mass252.04
IUPAC Name4-[4-(difluoromethylsulfanyl)phenyl]phenol
SMILESOc1ccc(-c2ccc(SC(F)F)cc2)cc1
InChIInChI=1S/C13H10F2OS/c14-13(15)17-12-7-3-10(4-8-12)9-1-5-11(16)6-2-9/h1-8,13,16H
InChIKeyVYMMFQLROWJWSZ-UHFFFAOYSA-N
XLogP4.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(difluoromethylsulfanyl)phenyl]phenol?
The IUPAC name of 4-[4-(difluoromethylsulfanyl)phenyl]phenol (CID 83128258) is 4-[4-(difluoromethylsulfanyl)phenyl]phenol.
What is the SMILES notation for 4-[4-(difluoromethylsulfanyl)phenyl]phenol?
The canonical SMILES for 4-[4-(difluoromethylsulfanyl)phenyl]phenol is Oc1ccc(-c2ccc(SC(F)F)cc2)cc1.
What is the InChIKey of 4-[4-(difluoromethylsulfanyl)phenyl]phenol?
The InChIKey is VYMMFQLROWJWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2OS/c14-13(15)17-12-7-3-10(4-8-12)9-1-5-11(16)6-2-9/h1-8,13,16H.
What are the key properties of 4-[4-(difluoromethylsulfanyl)phenyl]phenol?
4-[4-(difluoromethylsulfanyl)phenyl]phenol has a molecular weight of 252.29 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(difluoromethylsulfanyl)phenyl]phenol is sourced from PubChem (CID 83128258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).