3-(pentafluoro-lambda6-sulfanyl)phenol

C6H5F5OS — CID 2779201

IUPAC3-(pentafluoro-lambda6-sulfanyl)phenol
SMILESOc1cccc(S(F)(F)(F)(F)F)c1
InChIInChI=1S/C6H5F5OS/c7-13(8,9,10,11)6-3-1-2-5(12)4-6/h1-4,12H
InChIKeyKVOACEHJTNSNBD-UHFFFAOYSA-N
MW220.16 g/mol
LogP4.05
Rot. Bonds1

About 3-(pentafluoro-lambda6-sulfanyl)phenol

3-(pentafluoro-lambda6-sulfanyl)phenol (PubChem CID 2779201) has the molecular formula C6H5F5OS and a molecular weight of 220.16 g/mol. Its IUPAC name is 3-(pentafluoro-lambda6-sulfanyl)phenol.

Molecular Properties

Compound Name3-(pentafluoro-lambda6-sulfanyl)phenol
PubChem CID2779201
Molecular FormulaC6H5F5OS
Molecular Weight220.16 g/mol
Exact Mass220.00
IUPAC Name3-(pentafluoro-lambda6-sulfanyl)phenol
SMILESOc1cccc(S(F)(F)(F)(F)F)c1
InChIInChI=1S/C6H5F5OS/c7-13(8,9,10,11)6-3-1-2-5(12)4-6/h1-4,12H
InChIKeyKVOACEHJTNSNBD-UHFFFAOYSA-N
XLogP4.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.16
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(pentafluoro-lambda6-sulfanyl)phenol?
The IUPAC name of 3-(pentafluoro-lambda6-sulfanyl)phenol (CID 2779201) is 3-(pentafluoro-lambda6-sulfanyl)phenol.
What is the SMILES notation for 3-(pentafluoro-lambda6-sulfanyl)phenol?
The canonical SMILES for 3-(pentafluoro-lambda6-sulfanyl)phenol is Oc1cccc(S(F)(F)(F)(F)F)c1.
What is the InChIKey of 3-(pentafluoro-lambda6-sulfanyl)phenol?
The InChIKey is KVOACEHJTNSNBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F5OS/c7-13(8,9,10,11)6-3-1-2-5(12)4-6/h1-4,12H.
What are the key properties of 3-(pentafluoro-lambda6-sulfanyl)phenol?
3-(pentafluoro-lambda6-sulfanyl)phenol has a molecular weight of 220.16 g/mol, XLogP of 4.05, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pentafluoro-lambda6-sulfanyl)phenol is sourced from PubChem (CID 2779201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).