3-fluoro-2-(1-sulfanylethyl)phenol

C8H9FOS — CID 134492583

IUPAC3-fluoro-2-(1-sulfanylethyl)phenol
SMILESCC(S)c1c(O)cccc1F
InChIInChI=1S/C8H9FOS/c1-5(11)8-6(9)3-2-4-7(8)10/h2-5,10-11H,1H3
InChIKeyRFDHHPPYIFSANL-UHFFFAOYSA-N
MW172.22 g/mol
LogP2.52
Rot. Bonds1

About 3-fluoro-2-(1-sulfanylethyl)phenol

3-fluoro-2-(1-sulfanylethyl)phenol (PubChem CID 134492583) has the molecular formula C8H9FOS and a molecular weight of 172.22 g/mol. Its IUPAC name is 3-fluoro-2-(1-sulfanylethyl)phenol.

Molecular Properties

Compound Name3-fluoro-2-(1-sulfanylethyl)phenol
PubChem CID134492583
Molecular FormulaC8H9FOS
Molecular Weight172.22 g/mol
Exact Mass172.04
IUPAC Name3-fluoro-2-(1-sulfanylethyl)phenol
SMILESCC(S)c1c(O)cccc1F
InChIInChI=1S/C8H9FOS/c1-5(11)8-6(9)3-2-4-7(8)10/h2-5,10-11H,1H3
InChIKeyRFDHHPPYIFSANL-UHFFFAOYSA-N
XLogP2.52
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(1-sulfanylethyl)phenol?
The IUPAC name of 3-fluoro-2-(1-sulfanylethyl)phenol (CID 134492583) is 3-fluoro-2-(1-sulfanylethyl)phenol.
What is the SMILES notation for 3-fluoro-2-(1-sulfanylethyl)phenol?
The canonical SMILES for 3-fluoro-2-(1-sulfanylethyl)phenol is CC(S)c1c(O)cccc1F.
What is the InChIKey of 3-fluoro-2-(1-sulfanylethyl)phenol?
The InChIKey is RFDHHPPYIFSANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FOS/c1-5(11)8-6(9)3-2-4-7(8)10/h2-5,10-11H,1H3.
What are the key properties of 3-fluoro-2-(1-sulfanylethyl)phenol?
3-fluoro-2-(1-sulfanylethyl)phenol has a molecular weight of 172.22 g/mol, XLogP of 2.52, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(1-sulfanylethyl)phenol is sourced from PubChem (CID 134492583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).