2-(3-fluorophenoxy)ethanethiol

C8H9FOS — CID 79002331

IUPAC2-(3-fluorophenoxy)ethanethiol
SMILESFc1cccc(OCCS)c1
InChIInChI=1S/C8H9FOS/c9-7-2-1-3-8(6-7)10-4-5-11/h1-3,6,11H,4-5H2
InChIKeyAWPAISVMKGIRRC-UHFFFAOYSA-N
MW172.22 g/mol
LogP2.13
Rot. Bonds3

About 2-(3-fluorophenoxy)ethanethiol

2-(3-fluorophenoxy)ethanethiol (PubChem CID 79002331) has the molecular formula C8H9FOS and a molecular weight of 172.22 g/mol. Its IUPAC name is 2-(3-fluorophenoxy)ethanethiol.

Molecular Properties

Compound Name2-(3-fluorophenoxy)ethanethiol
PubChem CID79002331
Molecular FormulaC8H9FOS
Molecular Weight172.22 g/mol
Exact Mass172.04
IUPAC Name2-(3-fluorophenoxy)ethanethiol
SMILESFc1cccc(OCCS)c1
InChIInChI=1S/C8H9FOS/c9-7-2-1-3-8(6-7)10-4-5-11/h1-3,6,11H,4-5H2
InChIKeyAWPAISVMKGIRRC-UHFFFAOYSA-N
XLogP2.13
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 64764365
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1-(5-bromopentoxy)-3-fluorobenzene
CID 14575315
1-but-3-enoxy-3-fluorobenzene;methanol
CID 162380049
[4-[2-(3-fluorophenoxy)ethoxy]phenyl]methanamine
CID 43254110
6-(3-fluorophenoxy)hexan-3-one
CID 106801939
1-fluoro-3-(4,4,5,5,5-pentafluoropentoxy)benzene
CID 141301748
2-amino-4-(3-fluorophenoxy)-2-methylbutan-1-ol
CID 64804560
4-[3-(3-fluorophenoxy)propoxy]benzonitrile
CID 43289409
1-fluoro-3-(2-phenylmethoxyethoxy)benzene
CID 71345378
1-fluoro-3-hex-3-enoxybenzene
CID 91033540
2-(3-propan-2-ylphenoxy)ethanethiol
CID 21131503

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenoxy)ethanethiol?
The IUPAC name of 2-(3-fluorophenoxy)ethanethiol (CID 79002331) is 2-(3-fluorophenoxy)ethanethiol.
What is the SMILES notation for 2-(3-fluorophenoxy)ethanethiol?
The canonical SMILES for 2-(3-fluorophenoxy)ethanethiol is Fc1cccc(OCCS)c1.
What is the InChIKey of 2-(3-fluorophenoxy)ethanethiol?
The InChIKey is AWPAISVMKGIRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FOS/c9-7-2-1-3-8(6-7)10-4-5-11/h1-3,6,11H,4-5H2.
What are the key properties of 2-(3-fluorophenoxy)ethanethiol?
2-(3-fluorophenoxy)ethanethiol has a molecular weight of 172.22 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenoxy)ethanethiol is sourced from PubChem (CID 79002331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).