2-fluoropropane-2-thiol

C3H7FS — CID 22169519

IUPAC2-fluoropropane-2-thiol
SMILESCC(C)(F)S
InChIInChI=1S/C3H7FS/c1-3(2,4)5/h5H,1-2H3
InChIKeyAHUBDSRZTZSOIM-UHFFFAOYSA-N
MW94.15 g/mol
LogP1.62
Rot. Bonds

About 2-fluoropropane-2-thiol

2-fluoropropane-2-thiol (PubChem CID 22169519) has the molecular formula C3H7FS and a molecular weight of 94.15 g/mol. Its IUPAC name is 2-fluoropropane-2-thiol.

Molecular Properties

Compound Name2-fluoropropane-2-thiol
PubChem CID22169519
Molecular FormulaC3H7FS
Molecular Weight94.15 g/mol
Exact Mass94.03
IUPAC Name2-fluoropropane-2-thiol
SMILESCC(C)(F)S
InChIInChI=1S/C3H7FS/c1-3(2,4)5/h5H,1-2H3
InChIKeyAHUBDSRZTZSOIM-UHFFFAOYSA-N
XLogP1.62
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.15
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Fluorothioacetone
CID 15184813
2-Fluoropropane-1-thiol
CID 17787404
1,1,2-Trifluoropropane-1-thiol
CID 17935413
1-Fluoropropane-1-thiol
CID 21652344
1,1,2-Trifluoropropane-2-thiol
CID 23432734
1,1-Difluoropropane-1-thiol
CID 57219714
1,2-Difluoropropane-2-thiol
CID 57480114
(2R)-1,2-difluoropropane-2-thiol
CID 87189392
(2S)-1,2-difluoropropane-2-thiol
CID 87189761
1-Fluoropropane-2-thiol
CID 91275309
2-Fluorobutane-2-thiol
CID 118343495
1-Fluoroethane-1,1-dithiol
CID 140145871

Frequently Asked Questions

What is the IUPAC name of 2-fluoropropane-2-thiol?
The IUPAC name of 2-fluoropropane-2-thiol (CID 22169519) is 2-fluoropropane-2-thiol.
What is the SMILES notation for 2-fluoropropane-2-thiol?
The canonical SMILES for 2-fluoropropane-2-thiol is CC(C)(F)S.
What is the InChIKey of 2-fluoropropane-2-thiol?
The InChIKey is AHUBDSRZTZSOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7FS/c1-3(2,4)5/h5H,1-2H3.
What are the key properties of 2-fluoropropane-2-thiol?
2-fluoropropane-2-thiol has a molecular weight of 94.15 g/mol, XLogP of 1.62, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoropropane-2-thiol is sourced from PubChem (CID 22169519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).