3-(2-fluoroethoxy)propane-1-thiol

C5H11FOS — CID 130473934

IUPAC3-(2-fluoroethoxy)propane-1-thiol
SMILESFCCOCCCS
InChIInChI=1S/C5H11FOS/c6-2-4-7-3-1-5-8/h8H,1-5H2
InChIKeyDSCUSMADMSCJAN-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.29
Rot. Bonds5

About 3-(2-fluoroethoxy)propane-1-thiol

3-(2-fluoroethoxy)propane-1-thiol (PubChem CID 130473934) has the molecular formula C5H11FOS and a molecular weight of 138.21 g/mol. Its IUPAC name is 3-(2-fluoroethoxy)propane-1-thiol.

Molecular Properties

Compound Name3-(2-fluoroethoxy)propane-1-thiol
PubChem CID130473934
Molecular FormulaC5H11FOS
Molecular Weight138.21 g/mol
Exact Mass138.05
IUPAC Name3-(2-fluoroethoxy)propane-1-thiol
SMILESFCCOCCCS
InChIInChI=1S/C5H11FOS/c6-2-4-7-3-1-5-8/h8H,1-5H2
InChIKeyDSCUSMADMSCJAN-UHFFFAOYSA-N
XLogP1.29
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoroethoxy)propane-1-thiol?
The IUPAC name of 3-(2-fluoroethoxy)propane-1-thiol (CID 130473934) is 3-(2-fluoroethoxy)propane-1-thiol.
What is the SMILES notation for 3-(2-fluoroethoxy)propane-1-thiol?
The canonical SMILES for 3-(2-fluoroethoxy)propane-1-thiol is FCCOCCCS.
What is the InChIKey of 3-(2-fluoroethoxy)propane-1-thiol?
The InChIKey is DSCUSMADMSCJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11FOS/c6-2-4-7-3-1-5-8/h8H,1-5H2.
What are the key properties of 3-(2-fluoroethoxy)propane-1-thiol?
3-(2-fluoroethoxy)propane-1-thiol has a molecular weight of 138.21 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoroethoxy)propane-1-thiol is sourced from PubChem (CID 130473934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).