2,2-difluoro-2-phenylsulfanylethanol

C8H8F2OS — CID 51033051

IUPAC2,2-difluoro-2-phenylsulfanylethanol
SMILESOCC(F)(F)Sc1ccccc1
InChIInChI=1S/C8H8F2OS/c9-8(10,6-11)12-7-4-2-1-3-5-7/h1-5,11H,6H2
InChIKeyXTYAPZXVDNFJRN-UHFFFAOYSA-N
MW190.21 g/mol
LogP2.36
Rot. Bonds3

About 2,2-difluoro-2-phenylsulfanylethanol

2,2-difluoro-2-phenylsulfanylethanol (PubChem CID 51033051) has the molecular formula C8H8F2OS and a molecular weight of 190.21 g/mol. Its IUPAC name is 2,2-difluoro-2-phenylsulfanylethanol.

Molecular Properties

Compound Name2,2-difluoro-2-phenylsulfanylethanol
PubChem CID51033051
Molecular FormulaC8H8F2OS
Molecular Weight190.21 g/mol
Exact Mass190.03
IUPAC Name2,2-difluoro-2-phenylsulfanylethanol
SMILESOCC(F)(F)Sc1ccccc1
InChIInChI=1S/C8H8F2OS/c9-8(10,6-11)12-7-4-2-1-3-5-7/h1-5,11H,6H2
InChIKeyXTYAPZXVDNFJRN-UHFFFAOYSA-N
XLogP2.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-phenylsulfanylethanol?
The IUPAC name of 2,2-difluoro-2-phenylsulfanylethanol (CID 51033051) is 2,2-difluoro-2-phenylsulfanylethanol.
What is the SMILES notation for 2,2-difluoro-2-phenylsulfanylethanol?
The canonical SMILES for 2,2-difluoro-2-phenylsulfanylethanol is OCC(F)(F)Sc1ccccc1.
What is the InChIKey of 2,2-difluoro-2-phenylsulfanylethanol?
The InChIKey is XTYAPZXVDNFJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2OS/c9-8(10,6-11)12-7-4-2-1-3-5-7/h1-5,11H,6H2.
What are the key properties of 2,2-difluoro-2-phenylsulfanylethanol?
2,2-difluoro-2-phenylsulfanylethanol has a molecular weight of 190.21 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-phenylsulfanylethanol is sourced from PubChem (CID 51033051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).