4-fluoro-2-methylsulfanyl-6-[2-(trifluoromethyl)phenyl]phenol

C14H10F4OS — CID 59378231

IUPAC4-fluoro-2-methylsulfanyl-6-[2-(trifluoromethyl)phenyl]phenol
SMILESCSc1cc(F)cc(-c2ccccc2C(F)(F)F)c1O
InChIInChI=1S/C14H10F4OS/c1-20-12-7-8(15)6-10(13(12)19)9-4-2-3-5-11(9)14(16,17)18/h2-7,19H,1H3
InChIKeyUREPZURECZLFDI-UHFFFAOYSA-N
MW302.29 g/mol
LogP4.94
Rot. Bonds2

About 4-fluoro-2-methylsulfanyl-6-[2-(trifluoromethyl)phenyl]phenol

4-fluoro-2-methylsulfanyl-6-[2-(trifluoromethyl)phenyl]phenol (PubChem CID 59378231) has the molecular formula C14H10F4OS and a molecular weight of 302.29 g/mol. Its IUPAC name is 4-fluoro-2-methylsulfanyl-6-[2-(trifluoromethyl)phenyl]phenol.

Molecular Properties

Compound Name4-fluoro-2-methylsulfanyl-6-[2-(trifluoromethyl)phenyl]phenol
PubChem CID59378231
Molecular FormulaC14H10F4OS
Molecular Weight302.29 g/mol
Exact Mass302.04
IUPAC Name4-fluoro-2-methylsulfanyl-6-[2-(trifluoromethyl)phenyl]phenol
SMILESCSc1cc(F)cc(-c2ccccc2C(F)(F)F)c1O
InChIInChI=1S/C14H10F4OS/c1-20-12-7-8(15)6-10(13(12)19)9-4-2-3-5-11(9)14(16,17)18/h2-7,19H,1H3
InChIKeyUREPZURECZLFDI-UHFFFAOYSA-N
XLogP4.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methylsulfanyl-6-[2-(trifluoromethyl)phenyl]phenol?
The IUPAC name of 4-fluoro-2-methylsulfanyl-6-[2-(trifluoromethyl)phenyl]phenol (CID 59378231) is 4-fluoro-2-methylsulfanyl-6-[2-(trifluoromethyl)phenyl]phenol.
What is the SMILES notation for 4-fluoro-2-methylsulfanyl-6-[2-(trifluoromethyl)phenyl]phenol?
The canonical SMILES for 4-fluoro-2-methylsulfanyl-6-[2-(trifluoromethyl)phenyl]phenol is CSc1cc(F)cc(-c2ccccc2C(F)(F)F)c1O.
What is the InChIKey of 4-fluoro-2-methylsulfanyl-6-[2-(trifluoromethyl)phenyl]phenol?
The InChIKey is UREPZURECZLFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F4OS/c1-20-12-7-8(15)6-10(13(12)19)9-4-2-3-5-11(9)14(16,17)18/h2-7,19H,1H3.
What are the key properties of 4-fluoro-2-methylsulfanyl-6-[2-(trifluoromethyl)phenyl]phenol?
4-fluoro-2-methylsulfanyl-6-[2-(trifluoromethyl)phenyl]phenol has a molecular weight of 302.29 g/mol, XLogP of 4.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methylsulfanyl-6-[2-(trifluoromethyl)phenyl]phenol is sourced from PubChem (CID 59378231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).