4-(1,1-dioxothiolan-2-yl)-3-fluorobutan-2-ol

C8H15FO3S — CID 105464113

IUPAC4-(1,1-dioxothiolan-2-yl)-3-fluorobutan-2-ol
SMILESCC(O)C(F)CC1CCCS1(=O)=O
InChIInChI=1S/C8H15FO3S/c1-6(10)8(9)5-7-3-2-4-13(7,11)12/h6-8,10H,2-5H2,1H3
InChIKeyRRMFOXRCFHFKMV-UHFFFAOYSA-N
MW210.27 g/mol
LogP0.67
Rot. Bonds3

About 4-(1,1-dioxothiolan-2-yl)-3-fluorobutan-2-ol

4-(1,1-dioxothiolan-2-yl)-3-fluorobutan-2-ol (PubChem CID 105464113) has the molecular formula C8H15FO3S and a molecular weight of 210.27 g/mol. Its IUPAC name is 4-(1,1-dioxothiolan-2-yl)-3-fluorobutan-2-ol.

Molecular Properties

Compound Name4-(1,1-dioxothiolan-2-yl)-3-fluorobutan-2-ol
PubChem CID105464113
Molecular FormulaC8H15FO3S
Molecular Weight210.27 g/mol
Exact Mass210.07
IUPAC Name4-(1,1-dioxothiolan-2-yl)-3-fluorobutan-2-ol
SMILESCC(O)C(F)CC1CCCS1(=O)=O
InChIInChI=1S/C8H15FO3S/c1-6(10)8(9)5-7-3-2-4-13(7,11)12/h6-8,10H,2-5H2,1H3
InChIKeyRRMFOXRCFHFKMV-UHFFFAOYSA-N
XLogP0.67
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-8-(4,4,4-trifluorobutylsulfonyl)octan-2-ol
CID 161050588
(2S)-8-(4,4,4-trifluorobutylsulfonyl)octan-2-ol
CID 161050589
1-(Methylsulphonyl)tetradecan-2-ol
CID 3020345
3-Fluoro-4-(thiolan-2-yl)butan-2-ol
CID 105437757
2-(1,1-Dioxothiolan-2-yl)-2-fluoroethanol
CID 105439992
3-(1,1-Dioxothiolan-2-yl)-2-fluoropropan-1-ol
CID 105449906
1-(1,1-Dioxothiolan-2-yl)-1-fluoropropan-2-ol
CID 105449910
4-(1,1-Dioxothiolan-3-yl)-3-fluorobutan-2-ol
CID 105464112
3-(1,1-Dioxothiolan-2-yl)-2,2-difluoropropan-1-ol
CID 105467501
1-(1,1-Dioxothiolan-2-yl)-1,1-difluoropropan-2-ol
CID 105467505
4-(1,1-Dioxothiolan-2-yl)-3,3-difluorobutan-2-ol
CID 105485479
4,4-Difluoro-9,9-dioxo-9lambda6-thiabicyclo[4.2.1]nonan-3-ol
CID 171936925

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dioxothiolan-2-yl)-3-fluorobutan-2-ol?
The IUPAC name of 4-(1,1-dioxothiolan-2-yl)-3-fluorobutan-2-ol (CID 105464113) is 4-(1,1-dioxothiolan-2-yl)-3-fluorobutan-2-ol.
What is the SMILES notation for 4-(1,1-dioxothiolan-2-yl)-3-fluorobutan-2-ol?
The canonical SMILES for 4-(1,1-dioxothiolan-2-yl)-3-fluorobutan-2-ol is CC(O)C(F)CC1CCCS1(=O)=O.
What is the InChIKey of 4-(1,1-dioxothiolan-2-yl)-3-fluorobutan-2-ol?
The InChIKey is RRMFOXRCFHFKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FO3S/c1-6(10)8(9)5-7-3-2-4-13(7,11)12/h6-8,10H,2-5H2,1H3.
What are the key properties of 4-(1,1-dioxothiolan-2-yl)-3-fluorobutan-2-ol?
4-(1,1-dioxothiolan-2-yl)-3-fluorobutan-2-ol has a molecular weight of 210.27 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dioxothiolan-2-yl)-3-fluorobutan-2-ol is sourced from PubChem (CID 105464113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).