(2R)-1-fluoropropane-2-thiol

C3H7FS — CID 173027765

IUPAC(2R)-1-fluoropropane-2-thiol
SMILESC[C@@H](S)CF
InChIInChI=1S/C3H7FS/c1-3(5)2-4/h3,5H,2H2,1H3/t3-/m1/s1
InChIKeyWXQBINMIEGNSNX-GSVOUGTGSA-N
MW94.15 g/mol
LogP1.27
Rot. Bonds1

About (2R)-1-fluoropropane-2-thiol

(2R)-1-fluoropropane-2-thiol (PubChem CID 173027765) has the molecular formula C3H7FS and a molecular weight of 94.15 g/mol. Its IUPAC name is (2R)-1-fluoropropane-2-thiol.

Molecular Properties

Compound Name(2R)-1-fluoropropane-2-thiol
PubChem CID173027765
Molecular FormulaC3H7FS
Molecular Weight94.15 g/mol
Exact Mass94.03
IUPAC Name(2R)-1-fluoropropane-2-thiol
SMILESC[C@@H](S)CF
InChIInChI=1S/C3H7FS/c1-3(5)2-4/h3,5H,2H2,1H3/t3-/m1/s1
InChIKeyWXQBINMIEGNSNX-GSVOUGTGSA-N
XLogP1.27
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.15
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2R)-1-fluoropropane-2-thiol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-1-fluoropropane-2-thiol?
The IUPAC name of (2R)-1-fluoropropane-2-thiol (CID 173027765) is (2R)-1-fluoropropane-2-thiol.
What is the SMILES notation for (2R)-1-fluoropropane-2-thiol?
The canonical SMILES for (2R)-1-fluoropropane-2-thiol is C[C@@H](S)CF.
What is the InChIKey of (2R)-1-fluoropropane-2-thiol?
The InChIKey is WXQBINMIEGNSNX-GSVOUGTGSA-N. The full InChI is InChI=1S/C3H7FS/c1-3(5)2-4/h3,5H,2H2,1H3/t3-/m1/s1.
What are the key properties of (2R)-1-fluoropropane-2-thiol?
(2R)-1-fluoropropane-2-thiol has a molecular weight of 94.15 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-fluoropropane-2-thiol is sourced from PubChem (CID 173027765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).