[4-(2-ethoxyethyl)phenyl] thiohypofluorite

C10H13FOS — CID 167107046

IUPAC[4-(2-ethoxyethyl)phenyl] thiohypofluorite
SMILESCCOCCc1ccc(SF)cc1
InChIInChI=1S/C10H13FOS/c1-2-12-8-7-9-3-5-10(13-11)6-4-9/h3-6H,2,7-8H2,1H3
InChIKeyOSJVTEDKCNWAHE-UHFFFAOYSA-N
MW200.28 g/mol
LogP3.24
Rot. Bonds5

About [4-(2-ethoxyethyl)phenyl] thiohypofluorite

[4-(2-ethoxyethyl)phenyl] thiohypofluorite (PubChem CID 167107046) has the molecular formula C10H13FOS and a molecular weight of 200.28 g/mol. Its IUPAC name is [4-(2-ethoxyethyl)phenyl] thiohypofluorite.

Molecular Properties

Compound Name[4-(2-ethoxyethyl)phenyl] thiohypofluorite
PubChem CID167107046
Molecular FormulaC10H13FOS
Molecular Weight200.28 g/mol
Exact Mass200.07
IUPAC Name[4-(2-ethoxyethyl)phenyl] thiohypofluorite
SMILESCCOCCc1ccc(SF)cc1
InChIInChI=1S/C10H13FOS/c1-2-12-8-7-9-3-5-10(13-11)6-4-9/h3-6H,2,7-8H2,1H3
InChIKeyOSJVTEDKCNWAHE-UHFFFAOYSA-N
XLogP3.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Methyl phenethyl ether
CID 19089
Benzene, (2-ethoxyethyl)-
CID 74556
Butyl phenethyl ether
CID 79240
(2-(Pentyloxy)ethyl)benzene
CID 3022447
2-Methoxy-1-phenylethane-1-thiol
CID 23380571
Ethyl phenylthioacetate
CID 12284387
phenyl-thioacetic acid O-methyl ester
CID 12543360
O-(2-phenylethyl) ethanethioate
CID 20613832
4-Fluorophenethyl alcohol, n-propyl ether
CID 22977303
4-Fluorophenethyl alcohol, n-pentyl ether
CID 91058495
2-Fluorophenethyl alcohol, n-propyl ether
CID 91539141
4-Fluorophenethyl alcohol, n-butyl ether
CID 91693399

Frequently Asked Questions

What is the IUPAC name of [4-(2-ethoxyethyl)phenyl] thiohypofluorite?
The IUPAC name of [4-(2-ethoxyethyl)phenyl] thiohypofluorite (CID 167107046) is [4-(2-ethoxyethyl)phenyl] thiohypofluorite.
What is the SMILES notation for [4-(2-ethoxyethyl)phenyl] thiohypofluorite?
The canonical SMILES for [4-(2-ethoxyethyl)phenyl] thiohypofluorite is CCOCCc1ccc(SF)cc1.
What is the InChIKey of [4-(2-ethoxyethyl)phenyl] thiohypofluorite?
The InChIKey is OSJVTEDKCNWAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FOS/c1-2-12-8-7-9-3-5-10(13-11)6-4-9/h3-6H,2,7-8H2,1H3.
What are the key properties of [4-(2-ethoxyethyl)phenyl] thiohypofluorite?
[4-(2-ethoxyethyl)phenyl] thiohypofluorite has a molecular weight of 200.28 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-ethoxyethyl)phenyl] thiohypofluorite is sourced from PubChem (CID 167107046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).