4-fluorobutanethial

C4H7FS — CID 58279629

IUPAC4-fluorobutanethial
SMILESFCCCC=S
InChIInChI=1S/C4H7FS/c5-3-1-2-4-6/h4H,1-3H2
InChIKeyQMGCMFIAKIDKDW-UHFFFAOYSA-N
MW106.16 g/mol
LogP1.74
Rot. Bonds3

About 4-fluorobutanethial

4-fluorobutanethial (PubChem CID 58279629) has the molecular formula C4H7FS and a molecular weight of 106.16 g/mol. Its IUPAC name is 4-fluorobutanethial.

Molecular Properties

Compound Name4-fluorobutanethial
PubChem CID58279629
Molecular FormulaC4H7FS
Molecular Weight106.16 g/mol
Exact Mass106.03
IUPAC Name4-fluorobutanethial
SMILESFCCCC=S
InChIInChI=1S/C4H7FS/c5-3-1-2-4-6/h4H,1-3H2
InChIKeyQMGCMFIAKIDKDW-UHFFFAOYSA-N
XLogP1.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.16
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluorobutanethial?
The IUPAC name of 4-fluorobutanethial (CID 58279629) is 4-fluorobutanethial.
What is the SMILES notation for 4-fluorobutanethial?
The canonical SMILES for 4-fluorobutanethial is FCCCC=S.
What is the InChIKey of 4-fluorobutanethial?
The InChIKey is QMGCMFIAKIDKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7FS/c5-3-1-2-4-6/h4H,1-3H2.
What are the key properties of 4-fluorobutanethial?
4-fluorobutanethial has a molecular weight of 106.16 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluorobutanethial is sourced from PubChem (CID 58279629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).