4-[[4-(trifluoromethyl)phenyl]methylsulfanyl]phenol

C14H11F3OS — CID 23089558

IUPAC4-[[4-(trifluoromethyl)phenyl]methylsulfanyl]phenol
SMILESOc1ccc(SCc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C14H11F3OS/c15-14(16,17)11-3-1-10(2-4-11)9-19-13-7-5-12(18)6-8-13/h1-8,18H,9H2
InChIKeySFDAJMPTPPKJMH-UHFFFAOYSA-N
MW284.30 g/mol
LogP4.70
Rot. Bonds3

About 4-[[4-(trifluoromethyl)phenyl]methylsulfanyl]phenol

4-[[4-(trifluoromethyl)phenyl]methylsulfanyl]phenol (PubChem CID 23089558) has the molecular formula C14H11F3OS and a molecular weight of 284.30 g/mol. Its IUPAC name is 4-[[4-(trifluoromethyl)phenyl]methylsulfanyl]phenol.

Molecular Properties

Compound Name4-[[4-(trifluoromethyl)phenyl]methylsulfanyl]phenol
PubChem CID23089558
Molecular FormulaC14H11F3OS
Molecular Weight284.30 g/mol
Exact Mass284.05
IUPAC Name4-[[4-(trifluoromethyl)phenyl]methylsulfanyl]phenol
SMILESOc1ccc(SCc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C14H11F3OS/c15-14(16,17)11-3-1-10(2-4-11)9-19-13-7-5-12(18)6-8-13/h1-8,18H,9H2
InChIKeySFDAJMPTPPKJMH-UHFFFAOYSA-N
XLogP4.70
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 ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(trifluoromethyl)phenyl]methylsulfanyl]phenol?
The IUPAC name of 4-[[4-(trifluoromethyl)phenyl]methylsulfanyl]phenol (CID 23089558) is 4-[[4-(trifluoromethyl)phenyl]methylsulfanyl]phenol.
What is the SMILES notation for 4-[[4-(trifluoromethyl)phenyl]methylsulfanyl]phenol?
The canonical SMILES for 4-[[4-(trifluoromethyl)phenyl]methylsulfanyl]phenol is Oc1ccc(SCc2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 4-[[4-(trifluoromethyl)phenyl]methylsulfanyl]phenol?
The InChIKey is SFDAJMPTPPKJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3OS/c15-14(16,17)11-3-1-10(2-4-11)9-19-13-7-5-12(18)6-8-13/h1-8,18H,9H2.
What are the key properties of 4-[[4-(trifluoromethyl)phenyl]methylsulfanyl]phenol?
4-[[4-(trifluoromethyl)phenyl]methylsulfanyl]phenol has a molecular weight of 284.30 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(trifluoromethyl)phenyl]methylsulfanyl]phenol is sourced from PubChem (CID 23089558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).