1-(2-fluorophenoxy)ethanethiol

C8H9FOS — CID 166973393

IUPAC1-(2-fluorophenoxy)ethanethiol
SMILESCC(S)Oc1ccccc1F
InChIInChI=1S/C8H9FOS/c1-6(11)10-8-5-3-2-4-7(8)9/h2-6,11H,1H3
InChIKeyQFRLYJBUJZWAFN-UHFFFAOYSA-N
MW172.22 g/mol
LogP2.48
Rot. Bonds2

About 1-(2-fluorophenoxy)ethanethiol

1-(2-fluorophenoxy)ethanethiol (PubChem CID 166973393) has the molecular formula C8H9FOS and a molecular weight of 172.22 g/mol. Its IUPAC name is 1-(2-fluorophenoxy)ethanethiol.

Molecular Properties

Compound Name1-(2-fluorophenoxy)ethanethiol
PubChem CID166973393
Molecular FormulaC8H9FOS
Molecular Weight172.22 g/mol
Exact Mass172.04
IUPAC Name1-(2-fluorophenoxy)ethanethiol
SMILESCC(S)Oc1ccccc1F
InChIInChI=1S/C8H9FOS/c1-6(11)10-8-5-3-2-4-7(8)9/h2-6,11H,1H3
InChIKeyQFRLYJBUJZWAFN-UHFFFAOYSA-N
XLogP2.48
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-(2-chlorophenoxy)ethanethiol
CID 147588927
2-(2-fluorophenoxy)propan-1-amine;hydrochloride
CID 86262696
1-fluoro-2-(4-methylpent-3-en-2-yloxy)benzene
CID 134448627
1-fluoro-2-[(2R)-heptan-2-yl]oxybenzene
CID 14766294
2-(2-fluorophenoxy)-3-methyl-N-propan-2-ylbutan-1-amine
CID 62454914
1-(2-fluorophenoxy)-1-(4-methylphenyl)propan-2-amine
CID 55016476
1-fluoro-2-(1-isocyanatopropan-2-yloxy)benzene
CID 84773332
N-ethyl-2-(2-fluorophenoxy)-3-methylbutan-1-amine
CID 62454913
3-(2-fluorophenoxy)pentan-1-amine
CID 43368122
1,2-bis[2-[2-(2-fluorophenoxy)phenoxy]phenoxy]benzene
CID 22338502
2-[2-(2-fluorophenoxy)propyl]guanidine;hydroiodide
CID 111465552
(4-fluorophenyl) 2-(2-fluorophenoxy)propanoate
CID 3324699

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenoxy)ethanethiol?
The IUPAC name of 1-(2-fluorophenoxy)ethanethiol (CID 166973393) is 1-(2-fluorophenoxy)ethanethiol.
What is the SMILES notation for 1-(2-fluorophenoxy)ethanethiol?
The canonical SMILES for 1-(2-fluorophenoxy)ethanethiol is CC(S)Oc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenoxy)ethanethiol?
The InChIKey is QFRLYJBUJZWAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FOS/c1-6(11)10-8-5-3-2-4-7(8)9/h2-6,11H,1H3.
What are the key properties of 1-(2-fluorophenoxy)ethanethiol?
1-(2-fluorophenoxy)ethanethiol has a molecular weight of 172.22 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenoxy)ethanethiol is sourced from PubChem (CID 166973393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).