3-fluoropropanethial

C3H5FS — CID 54526712

IUPAC3-fluoropropanethial
SMILESFCCC=S
InChIInChI=1S/C3H5FS/c4-2-1-3-5/h3H,1-2H2
InChIKeyYMIOULAWKCNUKA-UHFFFAOYSA-N
MW92.14 g/mol
LogP1.35
Rot. Bonds2

About 3-fluoropropanethial

3-fluoropropanethial (PubChem CID 54526712) has the molecular formula C3H5FS and a molecular weight of 92.14 g/mol. Its IUPAC name is 3-fluoropropanethial.

Molecular Properties

Compound Name3-fluoropropanethial
PubChem CID54526712
Molecular FormulaC3H5FS
Molecular Weight92.14 g/mol
Exact Mass92.01
IUPAC Name3-fluoropropanethial
SMILESFCCC=S
InChIInChI=1S/C3H5FS/c4-2-1-3-5/h3H,1-2H2
InChIKeyYMIOULAWKCNUKA-UHFFFAOYSA-N
XLogP1.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50092.14
LogP ≤ 51.35
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

3-Fluoropropane-1-thiol
CID 3030914
Fluoropropanesulfenyl chloride
CID 129814308
Fluoroethanethial
CID 20131791
3,3-Difluoropropanethial
CID 53675298
2-Fluoropropanethial
CID 54406269
4-Fluorobutanethial
CID 58279629
Lithium 3-fluoropropane-1-thiolate
CID 23688011
3-(18F)fluoropropane-1-thiol
CID 58654594
CID 53628579
CID 53628579
CID 53628582
CID 53628582
CID 53628584
CID 53628584
CID 101229127
CID 101229127

Frequently Asked Questions

What is the IUPAC name of 3-fluoropropanethial?
The IUPAC name of 3-fluoropropanethial (CID 54526712) is 3-fluoropropanethial.
What is the SMILES notation for 3-fluoropropanethial?
The canonical SMILES for 3-fluoropropanethial is FCCC=S.
What is the InChIKey of 3-fluoropropanethial?
The InChIKey is YMIOULAWKCNUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5FS/c4-2-1-3-5/h3H,1-2H2.
What are the key properties of 3-fluoropropanethial?
3-fluoropropanethial has a molecular weight of 92.14 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoropropanethial is sourced from PubChem (CID 54526712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).