[4-(difluoromethylsulfanyl)phenyl]methanol

C8H8F2OS — CID 39870444

IUPAC[4-(difluoromethylsulfanyl)phenyl]methanol
SMILESOCc1ccc(SC(F)F)cc1
InChIInChI=1S/C8H8F2OS/c9-8(10)12-7-3-1-6(5-11)2-4-7/h1-4,8,11H,5H2
InChIKeyYKCIPFKQNNCPGG-UHFFFAOYSA-N
MW190.21 g/mol
LogP2.49
Rot. Bonds3

About [4-(difluoromethylsulfanyl)phenyl]methanol

[4-(difluoromethylsulfanyl)phenyl]methanol (PubChem CID 39870444) has the molecular formula C8H8F2OS and a molecular weight of 190.21 g/mol. Its IUPAC name is [4-(difluoromethylsulfanyl)phenyl]methanol.

Molecular Properties

Compound Name[4-(difluoromethylsulfanyl)phenyl]methanol
PubChem CID39870444
Molecular FormulaC8H8F2OS
Molecular Weight190.21 g/mol
Exact Mass190.03
IUPAC Name[4-(difluoromethylsulfanyl)phenyl]methanol
SMILESOCc1ccc(SC(F)F)cc1
InChIInChI=1S/C8H8F2OS/c9-8(10)12-7-3-1-6(5-11)2-4-7/h1-4,8,11H,5H2
InChIKeyYKCIPFKQNNCPGG-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethylsulfanyl)phenyl]methanol?
The IUPAC name of [4-(difluoromethylsulfanyl)phenyl]methanol (CID 39870444) is [4-(difluoromethylsulfanyl)phenyl]methanol.
What is the SMILES notation for [4-(difluoromethylsulfanyl)phenyl]methanol?
The canonical SMILES for [4-(difluoromethylsulfanyl)phenyl]methanol is OCc1ccc(SC(F)F)cc1.
What is the InChIKey of [4-(difluoromethylsulfanyl)phenyl]methanol?
The InChIKey is YKCIPFKQNNCPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2OS/c9-8(10)12-7-3-1-6(5-11)2-4-7/h1-4,8,11H,5H2.
What are the key properties of [4-(difluoromethylsulfanyl)phenyl]methanol?
[4-(difluoromethylsulfanyl)phenyl]methanol has a molecular weight of 190.21 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethylsulfanyl)phenyl]methanol is sourced from PubChem (CID 39870444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).