2-fluoropropanethial

C3H5FS — CID 54406269

IUPAC2-fluoropropanethial
SMILESCC(F)C=S
InChIInChI=1S/C3H5FS/c1-3(4)2-5/h2-3H,1H3
InChIKeyWUGAASIKIXBAST-UHFFFAOYSA-N
MW92.14 g/mol
LogP1.34
Rot. Bonds1

About 2-fluoropropanethial

2-fluoropropanethial (PubChem CID 54406269) has the molecular formula C3H5FS and a molecular weight of 92.14 g/mol. Its IUPAC name is 2-fluoropropanethial.

Molecular Properties

Compound Name2-fluoropropanethial
PubChem CID54406269
Molecular FormulaC3H5FS
Molecular Weight92.14 g/mol
Exact Mass92.01
IUPAC Name2-fluoropropanethial
SMILESCC(F)C=S
InChIInChI=1S/C3H5FS/c1-3(4)2-5/h2-3H,1H3
InChIKeyWUGAASIKIXBAST-UHFFFAOYSA-N
XLogP1.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50092.14
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

Fluorothioacetone
CID 15184813
Propanethial
CID 138345
2-Fluoropropane-1-thiol
CID 17787404
1-Fluoropropane-1-thiol
CID 21652344
2,2-Difluoropropanethial
CID 53846290
3-Fluoropropanethial
CID 54526712
4-Fluorobutanethial
CID 58279629
1-Fluoropropane-2-thiol
CID 91275309
Propanethioyl fluoride
CID 152774276
(2R)-1-fluoropropane-2-thiol
CID 173027765
(1R)-1-fluoropropane-1-thiol
CID 173027835
(1S)-1-fluoropropane-1-thiol
CID 173027870

Frequently Asked Questions

What is the IUPAC name of 2-fluoropropanethial?
The IUPAC name of 2-fluoropropanethial (CID 54406269) is 2-fluoropropanethial.
What is the SMILES notation for 2-fluoropropanethial?
The canonical SMILES for 2-fluoropropanethial is CC(F)C=S.
What is the InChIKey of 2-fluoropropanethial?
The InChIKey is WUGAASIKIXBAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5FS/c1-3(4)2-5/h2-3H,1H3.
What are the key properties of 2-fluoropropanethial?
2-fluoropropanethial has a molecular weight of 92.14 g/mol, XLogP of 1.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoropropanethial is sourced from PubChem (CID 54406269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).