2-fluoro-6-[(3-fluoro-2-hydroxyphenyl)methylsulfanylmethyl]phenol

C14H12F2O2S — CID 54352358

IUPAC2-fluoro-6-[(3-fluoro-2-hydroxyphenyl)methylsulfanylmethyl]phenol
SMILESOc1c(F)cccc1CSCc1cccc(F)c1O
InChIInChI=1S/C14H12F2O2S/c15-11-5-1-3-9(13(11)17)7-19-8-10-4-2-6-12(16)14(10)18/h1-6,17-18H,7-8H2
InChIKeyUGQZSHWRRXWXFC-UHFFFAOYSA-N
MW282.31 g/mol
LogP3.81
Rot. Bonds4

About 2-fluoro-6-[(3-fluoro-2-hydroxyphenyl)methylsulfanylmethyl]phenol

2-fluoro-6-[(3-fluoro-2-hydroxyphenyl)methylsulfanylmethyl]phenol (PubChem CID 54352358) has the molecular formula C14H12F2O2S and a molecular weight of 282.31 g/mol. Its IUPAC name is 2-fluoro-6-[(3-fluoro-2-hydroxyphenyl)methylsulfanylmethyl]phenol.

Molecular Properties

Compound Name2-fluoro-6-[(3-fluoro-2-hydroxyphenyl)methylsulfanylmethyl]phenol
PubChem CID54352358
Molecular FormulaC14H12F2O2S
Molecular Weight282.31 g/mol
Exact Mass282.05
IUPAC Name2-fluoro-6-[(3-fluoro-2-hydroxyphenyl)methylsulfanylmethyl]phenol
SMILESOc1c(F)cccc1CSCc1cccc(F)c1O
InChIInChI=1S/C14H12F2O2S/c15-11-5-1-3-9(13(11)17)7-19-8-10-4-2-6-12(16)14(10)18/h1-6,17-18H,7-8H2
InChIKeyUGQZSHWRRXWXFC-UHFFFAOYSA-N
XLogP3.81
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[(3-fluoro-2-hydroxyphenyl)methylsulfanylmethyl]phenol?
The IUPAC name of 2-fluoro-6-[(3-fluoro-2-hydroxyphenyl)methylsulfanylmethyl]phenol (CID 54352358) is 2-fluoro-6-[(3-fluoro-2-hydroxyphenyl)methylsulfanylmethyl]phenol.
What is the SMILES notation for 2-fluoro-6-[(3-fluoro-2-hydroxyphenyl)methylsulfanylmethyl]phenol?
The canonical SMILES for 2-fluoro-6-[(3-fluoro-2-hydroxyphenyl)methylsulfanylmethyl]phenol is Oc1c(F)cccc1CSCc1cccc(F)c1O.
What is the InChIKey of 2-fluoro-6-[(3-fluoro-2-hydroxyphenyl)methylsulfanylmethyl]phenol?
The InChIKey is UGQZSHWRRXWXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2O2S/c15-11-5-1-3-9(13(11)17)7-19-8-10-4-2-6-12(16)14(10)18/h1-6,17-18H,7-8H2.
What are the key properties of 2-fluoro-6-[(3-fluoro-2-hydroxyphenyl)methylsulfanylmethyl]phenol?
2-fluoro-6-[(3-fluoro-2-hydroxyphenyl)methylsulfanylmethyl]phenol has a molecular weight of 282.31 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[(3-fluoro-2-hydroxyphenyl)methylsulfanylmethyl]phenol is sourced from PubChem (CID 54352358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).