[4-(trifluoromethylsulfanyl)phenyl]methanol

C8H7F3OS — CID 2777870

IUPAC[4-(trifluoromethylsulfanyl)phenyl]methanol
SMILESOCc1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C8H7F3OS/c9-8(10,11)13-7-3-1-6(5-12)2-4-7/h1-4,12H,5H2
InChIKeyKCWQNXIWNNTUIJ-UHFFFAOYSA-N
MW208.20 g/mol
LogP2.79
Rot. Bonds2

About [4-(trifluoromethylsulfanyl)phenyl]methanol

[4-(trifluoromethylsulfanyl)phenyl]methanol (PubChem CID 2777870) has the molecular formula C8H7F3OS and a molecular weight of 208.20 g/mol. Its IUPAC name is [4-(trifluoromethylsulfanyl)phenyl]methanol.

Molecular Properties

Compound Name[4-(trifluoromethylsulfanyl)phenyl]methanol
PubChem CID2777870
Molecular FormulaC8H7F3OS
Molecular Weight208.20 g/mol
Exact Mass208.02
IUPAC Name[4-(trifluoromethylsulfanyl)phenyl]methanol
SMILESOCc1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C8H7F3OS/c9-8(10,11)13-7-3-1-6(5-12)2-4-7/h1-4,12H,5H2
InChIKeyKCWQNXIWNNTUIJ-UHFFFAOYSA-N
XLogP2.79
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.20
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethylsulfanyl)phenyl]methanol?
The IUPAC name of [4-(trifluoromethylsulfanyl)phenyl]methanol (CID 2777870) is [4-(trifluoromethylsulfanyl)phenyl]methanol.
What is the SMILES notation for [4-(trifluoromethylsulfanyl)phenyl]methanol?
The canonical SMILES for [4-(trifluoromethylsulfanyl)phenyl]methanol is OCc1ccc(SC(F)(F)F)cc1.
What is the InChIKey of [4-(trifluoromethylsulfanyl)phenyl]methanol?
The InChIKey is KCWQNXIWNNTUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3OS/c9-8(10,11)13-7-3-1-6(5-12)2-4-7/h1-4,12H,5H2.
What are the key properties of [4-(trifluoromethylsulfanyl)phenyl]methanol?
[4-(trifluoromethylsulfanyl)phenyl]methanol has a molecular weight of 208.20 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethylsulfanyl)phenyl]methanol is sourced from PubChem (CID 2777870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).