1,2,2,3-tetrafluorocyclobutane-1-thiol

C4H4F4S — CID 173270105

IUPAC1,2,2,3-tetrafluorocyclobutane-1-thiol
SMILESFC1CC(F)(S)C1(F)F
InChIInChI=1S/C4H4F4S/c5-2-1-3(6,9)4(2,7)8/h2,9H,1H2
InChIKeyWFBWPXDAXQDSSF-UHFFFAOYSA-N
MW160.14 g/mol
LogP1.96
Rot. Bonds

About 1,2,2,3-tetrafluorocyclobutane-1-thiol

1,2,2,3-tetrafluorocyclobutane-1-thiol (PubChem CID 173270105) has the molecular formula C4H4F4S and a molecular weight of 160.14 g/mol. Its IUPAC name is 1,2,2,3-tetrafluorocyclobutane-1-thiol.

Molecular Properties

Compound Name1,2,2,3-tetrafluorocyclobutane-1-thiol
PubChem CID173270105
Molecular FormulaC4H4F4S
Molecular Weight160.14 g/mol
Exact Mass160.00
IUPAC Name1,2,2,3-tetrafluorocyclobutane-1-thiol
SMILESFC1CC(F)(S)C1(F)F
InChIInChI=1S/C4H4F4S/c5-2-1-3(6,9)4(2,7)8/h2,9H,1H2
InChIKeyWFBWPXDAXQDSSF-UHFFFAOYSA-N
XLogP1.96
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.14
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 1,2,2,3-tetrafluorocyclobutane-1-thiol?
The IUPAC name of 1,2,2,3-tetrafluorocyclobutane-1-thiol (CID 173270105) is 1,2,2,3-tetrafluorocyclobutane-1-thiol.
What is the SMILES notation for 1,2,2,3-tetrafluorocyclobutane-1-thiol?
The canonical SMILES for 1,2,2,3-tetrafluorocyclobutane-1-thiol is FC1CC(F)(S)C1(F)F.
What is the InChIKey of 1,2,2,3-tetrafluorocyclobutane-1-thiol?
The InChIKey is WFBWPXDAXQDSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F4S/c5-2-1-3(6,9)4(2,7)8/h2,9H,1H2.
What are the key properties of 1,2,2,3-tetrafluorocyclobutane-1-thiol?
1,2,2,3-tetrafluorocyclobutane-1-thiol has a molecular weight of 160.14 g/mol, XLogP of 1.96, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,3-tetrafluorocyclobutane-1-thiol is sourced from PubChem (CID 173270105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).