3-fluorothiolane 1-oxide

C4H7FOS — CID 59776075

IUPAC3-fluorothiolane 1-oxide
SMILESO=S1CCC(F)C1
InChIInChI=1S/C4H7FOS/c5-4-1-2-7(6)3-4/h4H,1-3H2
InChIKeyNAJKTENUVMBBOM-UHFFFAOYSA-N
MW122.16 g/mol
LogP0.48
Rot. Bonds

About 3-fluorothiolane 1-oxide

3-fluorothiolane 1-oxide (PubChem CID 59776075) has the molecular formula C4H7FOS and a molecular weight of 122.16 g/mol. Its IUPAC name is 3-fluorothiolane 1-oxide.

Molecular Properties

Compound Name3-fluorothiolane 1-oxide
PubChem CID59776075
Molecular FormulaC4H7FOS
Molecular Weight122.16 g/mol
Exact Mass122.02
IUPAC Name3-fluorothiolane 1-oxide
SMILESO=S1CCC(F)C1
InChIInChI=1S/C4H7FOS/c5-4-1-2-7(6)3-4/h4H,1-3H2
InChIKeyNAJKTENUVMBBOM-UHFFFAOYSA-N
XLogP0.48
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.16
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Tetramethylene sulfoxide
CID 1128
(3S,4R)-3,4-difluorothiolane 1,1-dioxide
CID 100930637
3,4-Difluorothiolane 1,1-dioxide
CID 14613666
(3R,4R)-3,4-difluorothiolane 1,1-dioxide
CID 14613667
Thiophene, 3-fluorotetrahydro-, 1,1-dioxide
CID 11171005
Thiophene, 2-fluorotetrahydro-, 1,1-dioxide
CID 11367024
2,3,5-Trifluorothiolane 1,1-dioxide
CID 66729918
2,3-Difluorothiolane 1,1-dioxide
CID 66729954
2,5-Difluoro-1lambda~6~-thiolane-1,1-dione
CID 66730048
2,4-Difluorothiolane 1,1-dioxide
CID 66730112
2,3,4-Trifluorothiolane 1,1-dioxide
CID 87128665
(3S,4S)-3,4-difluorothiolane 1,1-dioxide
CID 100930634

Frequently Asked Questions

What is the IUPAC name of 3-fluorothiolane 1-oxide?
The IUPAC name of 3-fluorothiolane 1-oxide (CID 59776075) is 3-fluorothiolane 1-oxide.
What is the SMILES notation for 3-fluorothiolane 1-oxide?
The canonical SMILES for 3-fluorothiolane 1-oxide is O=S1CCC(F)C1.
What is the InChIKey of 3-fluorothiolane 1-oxide?
The InChIKey is NAJKTENUVMBBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7FOS/c5-4-1-2-7(6)3-4/h4H,1-3H2.
What are the key properties of 3-fluorothiolane 1-oxide?
3-fluorothiolane 1-oxide has a molecular weight of 122.16 g/mol, XLogP of 0.48, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluorothiolane 1-oxide is sourced from PubChem (CID 59776075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).