[3-(pentafluoro-λ6-sulfanyl)phenyl]methanol

C7H7F5OS — CID 66523452

IUPAC[3-(pentafluoro-λ6-sulfanyl)phenyl]methanol
SMILESOCc1cccc(S(F)(F)(F)(F)F)c1
InChIInChI=1S/C7H7F5OS/c8-14(9,10,11,12)7-3-1-2-6(4-7)5-13/h1-4,13H,5H2
InChIKeyZKRNAZYJHXJIFR-UHFFFAOYSA-N
MW234.19 g/mol
LogP3.84
Rot. Bonds2

About [3-(pentafluoro-λ6-sulfanyl)phenyl]methanol

[3-(pentafluoro-λ6-sulfanyl)phenyl]methanol (PubChem CID 66523452) has the molecular formula C7H7F5OS and a molecular weight of 234.19 g/mol. Its IUPAC name is [3-(pentafluoro-λ6-sulfanyl)phenyl]methanol.

Molecular Properties

Compound Name[3-(pentafluoro-λ6-sulfanyl)phenyl]methanol
PubChem CID66523452
Molecular FormulaC7H7F5OS
Molecular Weight234.19 g/mol
Exact Mass234.01
IUPAC Name[3-(pentafluoro-λ6-sulfanyl)phenyl]methanol
SMILESOCc1cccc(S(F)(F)(F)(F)F)c1
InChIInChI=1S/C7H7F5OS/c8-14(9,10,11,12)7-3-1-2-6(4-7)5-13/h1-4,13H,5H2
InChIKeyZKRNAZYJHXJIFR-UHFFFAOYSA-N
XLogP3.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.19
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [3-(pentafluoro-λ6-sulfanyl)phenyl]methanol?
The IUPAC name of [3-(pentafluoro-λ6-sulfanyl)phenyl]methanol (CID 66523452) is [3-(pentafluoro-λ6-sulfanyl)phenyl]methanol.
What is the SMILES notation for [3-(pentafluoro-λ6-sulfanyl)phenyl]methanol?
The canonical SMILES for [3-(pentafluoro-λ6-sulfanyl)phenyl]methanol is OCc1cccc(S(F)(F)(F)(F)F)c1.
What is the InChIKey of [3-(pentafluoro-λ6-sulfanyl)phenyl]methanol?
The InChIKey is ZKRNAZYJHXJIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F5OS/c8-14(9,10,11,12)7-3-1-2-6(4-7)5-13/h1-4,13H,5H2.
What are the key properties of [3-(pentafluoro-λ6-sulfanyl)phenyl]methanol?
[3-(pentafluoro-λ6-sulfanyl)phenyl]methanol has a molecular weight of 234.19 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(pentafluoro-λ6-sulfanyl)phenyl]methanol is sourced from PubChem (CID 66523452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).