phenyl-[4-(trifluoromethylsulfanyl)phenyl]methanol

C14H11F3OS — CID 20794921

IUPACphenyl-[4-(trifluoromethylsulfanyl)phenyl]methanol
SMILESOC(c1ccccc1)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C14H11F3OS/c15-14(16,17)19-12-8-6-11(7-9-12)13(18)10-4-2-1-3-5-10/h1-9,13,18H
InChIKeyHIXDMEPIZGFNNP-UHFFFAOYSA-N
MW284.30 g/mol
LogP4.38
Rot. Bonds3

About phenyl-[4-(trifluoromethylsulfanyl)phenyl]methanol

phenyl-[4-(trifluoromethylsulfanyl)phenyl]methanol (PubChem CID 20794921) has the molecular formula C14H11F3OS and a molecular weight of 284.30 g/mol. Its IUPAC name is phenyl-[4-(trifluoromethylsulfanyl)phenyl]methanol.

Molecular Properties

Compound Namephenyl-[4-(trifluoromethylsulfanyl)phenyl]methanol
PubChem CID20794921
Molecular FormulaC14H11F3OS
Molecular Weight284.30 g/mol
Exact Mass284.05
IUPAC Namephenyl-[4-(trifluoromethylsulfanyl)phenyl]methanol
SMILESOC(c1ccccc1)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C14H11F3OS/c15-14(16,17)19-12-8-6-11(7-9-12)13(18)10-4-2-1-3-5-10/h1-9,13,18H
InChIKeyHIXDMEPIZGFNNP-UHFFFAOYSA-N
XLogP4.38
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.30
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of phenyl-[4-(trifluoromethylsulfanyl)phenyl]methanol?
The IUPAC name of phenyl-[4-(trifluoromethylsulfanyl)phenyl]methanol (CID 20794921) is phenyl-[4-(trifluoromethylsulfanyl)phenyl]methanol.
What is the SMILES notation for phenyl-[4-(trifluoromethylsulfanyl)phenyl]methanol?
The canonical SMILES for phenyl-[4-(trifluoromethylsulfanyl)phenyl]methanol is OC(c1ccccc1)c1ccc(SC(F)(F)F)cc1.
What is the InChIKey of phenyl-[4-(trifluoromethylsulfanyl)phenyl]methanol?
The InChIKey is HIXDMEPIZGFNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3OS/c15-14(16,17)19-12-8-6-11(7-9-12)13(18)10-4-2-1-3-5-10/h1-9,13,18H.
What are the key properties of phenyl-[4-(trifluoromethylsulfanyl)phenyl]methanol?
phenyl-[4-(trifluoromethylsulfanyl)phenyl]methanol has a molecular weight of 284.30 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[4-(trifluoromethylsulfanyl)phenyl]methanol is sourced from PubChem (CID 20794921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).