1-(1-fluorocyclobutyl)ethanethione

C6H9FS — CID 170126982

IUPAC1-(1-fluorocyclobutyl)ethanethione
SMILESCC(=S)C1(F)CCC1
InChIInChI=1S/C6H9FS/c1-5(8)6(7)3-2-4-6/h2-4H2,1H3
InChIKeyVEXIZPDJUKEBGL-UHFFFAOYSA-N
MW132.20 g/mol
LogP2.27
Rot. Bonds1

About 1-(1-fluorocyclobutyl)ethanethione

1-(1-fluorocyclobutyl)ethanethione (PubChem CID 170126982) has the molecular formula C6H9FS and a molecular weight of 132.20 g/mol. Its IUPAC name is 1-(1-fluorocyclobutyl)ethanethione.

Molecular Properties

Compound Name1-(1-fluorocyclobutyl)ethanethione
PubChem CID170126982
Molecular FormulaC6H9FS
Molecular Weight132.20 g/mol
Exact Mass132.04
IUPAC Name1-(1-fluorocyclobutyl)ethanethione
SMILESCC(=S)C1(F)CCC1
InChIInChI=1S/C6H9FS/c1-5(8)6(7)3-2-4-6/h2-4H2,1H3
InChIKeyVEXIZPDJUKEBGL-UHFFFAOYSA-N
XLogP2.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.20
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

ethane;1-(1-fluorocyclohexyl)ethanone
CID 177366175
1-fluoro-N-methylcyclobutane-1-carboxamide
CID 130266037
1-(1-fluorocyclobutyl)-3-methylbutan-1-one;1-(1-fluorocyclopropyl)-3-methylbutan-1-one
CID 158947241
3a,6a-difluoro-1,2,3,4,5,6-hexahydropentalene
CID 175896210
N-(2,2-dimethylpropyl)-1-fluorocyclobutane-1-carboxamide
CID 130735439
(1-fluorocyclobutyl)-piperidin-1-ylmethanone
CID 126992878
N-butan-2-yl-1-fluorocyclobutane-1-carboxamide
CID 130944336
(1-fluorocyclobutyl)phosphane
CID 134406254
methanol;spiro[3.3]heptane
CID 170155109
ethyl 1-fluorocyclopentane-1-carboxylate
CID 14460277
1-methylsulfanylcyclobutane-1-carboxamide
CID 131173065
1-(4-fluorooxan-4-yl)ethanone
CID 58356077

Frequently Asked Questions

What is the IUPAC name of 1-(1-fluorocyclobutyl)ethanethione?
The IUPAC name of 1-(1-fluorocyclobutyl)ethanethione (CID 170126982) is 1-(1-fluorocyclobutyl)ethanethione.
What is the SMILES notation for 1-(1-fluorocyclobutyl)ethanethione?
The canonical SMILES for 1-(1-fluorocyclobutyl)ethanethione is CC(=S)C1(F)CCC1.
What is the InChIKey of 1-(1-fluorocyclobutyl)ethanethione?
The InChIKey is VEXIZPDJUKEBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FS/c1-5(8)6(7)3-2-4-6/h2-4H2,1H3.
What are the key properties of 1-(1-fluorocyclobutyl)ethanethione?
1-(1-fluorocyclobutyl)ethanethione has a molecular weight of 132.20 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-fluorocyclobutyl)ethanethione is sourced from PubChem (CID 170126982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).