2-fluorobutane-2-thiol

C4H9FS — CID 118343495

IUPAC2-fluorobutane-2-thiol
SMILESCCC(C)(F)S
InChIInChI=1S/C4H9FS/c1-3-4(2,5)6/h6H,3H2,1-2H3
InChIKeyUWBDYCYNWMZDIL-UHFFFAOYSA-N
MW108.18 g/mol
LogP2.01
Rot. Bonds1

About 2-fluorobutane-2-thiol

2-fluorobutane-2-thiol (PubChem CID 118343495) has the molecular formula C4H9FS and a molecular weight of 108.18 g/mol. Its IUPAC name is 2-fluorobutane-2-thiol.

Molecular Properties

Compound Name2-fluorobutane-2-thiol
PubChem CID118343495
Molecular FormulaC4H9FS
Molecular Weight108.18 g/mol
Exact Mass108.04
IUPAC Name2-fluorobutane-2-thiol
SMILESCCC(C)(F)S
InChIInChI=1S/C4H9FS/c1-3-4(2,5)6/h6H,3H2,1-2H3
InChIKeyUWBDYCYNWMZDIL-UHFFFAOYSA-N
XLogP2.01
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.18
LogP ≤ 52.01
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 2-fluorobutane-2-thiol?
The IUPAC name of 2-fluorobutane-2-thiol (CID 118343495) is 2-fluorobutane-2-thiol.
What is the SMILES notation for 2-fluorobutane-2-thiol?
The canonical SMILES for 2-fluorobutane-2-thiol is CCC(C)(F)S.
What is the InChIKey of 2-fluorobutane-2-thiol?
The InChIKey is UWBDYCYNWMZDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9FS/c1-3-4(2,5)6/h6H,3H2,1-2H3.
What are the key properties of 2-fluorobutane-2-thiol?
2-fluorobutane-2-thiol has a molecular weight of 108.18 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluorobutane-2-thiol is sourced from PubChem (CID 118343495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).