(4-fluoro-1,1-dioxothiolan-3-yl)methanol

C5H9FO3S — CID 105433703

IUPAC(4-fluoro-1,1-dioxothiolan-3-yl)methanol
SMILESO=S1(=O)CC(F)C(CO)C1
InChIInChI=1S/C5H9FO3S/c6-5-3-10(8,9)2-4(5)1-7/h4-5,7H,1-3H2
InChIKeyDDJASPNEQHCTFU-UHFFFAOYSA-N
MW168.19 g/mol
LogP-0.64
Rot. Bonds1

About (4-fluoro-1,1-dioxothiolan-3-yl)methanol

(4-fluoro-1,1-dioxothiolan-3-yl)methanol (PubChem CID 105433703) has the molecular formula C5H9FO3S and a molecular weight of 168.19 g/mol. Its IUPAC name is (4-fluoro-1,1-dioxothiolan-3-yl)methanol.

Molecular Properties

Compound Name(4-fluoro-1,1-dioxothiolan-3-yl)methanol
PubChem CID105433703
Molecular FormulaC5H9FO3S
Molecular Weight168.19 g/mol
Exact Mass168.03
IUPAC Name(4-fluoro-1,1-dioxothiolan-3-yl)methanol
SMILESO=S1(=O)CC(F)C(CO)C1
InChIInChI=1S/C5H9FO3S/c6-5-3-10(8,9)2-4(5)1-7/h4-5,7H,1-3H2
InChIKeyDDJASPNEQHCTFU-UHFFFAOYSA-N
XLogP-0.64
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Hydroxymethyl)-1lambda6-thiolane-1,1-dione
CID 3694463
3-(2-Hydroxyethyl)-1lambda6-thiolane-1,1-dione
CID 20622991
Thiophene-2-ol, tetrahydro-, 1,1-dioxide
CID 18987500
(1-Oxothiolan-3-yl)methanol
CID 83478853
2-(1,1-Dioxothietan-3-yl)-2-fluoroethanol
CID 105433704
(3-Fluoro-1,1-dioxothian-4-yl)methanol
CID 105439987
(4-Fluoro-3-methyl-1,1-dioxothiolan-3-yl)methanol
CID 105439988
2-(4-Fluoro-1,1-dioxothiolan-3-yl)ethanol
CID 105439990
2-(1,1-Dioxothiolan-3-yl)-2-fluoroethanol
CID 105439991
(4,4-Difluoro-1,1-dioxothiolan-3-yl)methanol
CID 105441984
3-(1,1-Dioxothiolan-3-yl)-2-fluoropropan-1-ol
CID 105449905
2-(4,4-Difluoro-1,1-dioxothiolan-3-yl)ethanol
CID 105452675

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-1,1-dioxothiolan-3-yl)methanol?
The IUPAC name of (4-fluoro-1,1-dioxothiolan-3-yl)methanol (CID 105433703) is (4-fluoro-1,1-dioxothiolan-3-yl)methanol.
What is the SMILES notation for (4-fluoro-1,1-dioxothiolan-3-yl)methanol?
The canonical SMILES for (4-fluoro-1,1-dioxothiolan-3-yl)methanol is O=S1(=O)CC(F)C(CO)C1.
What is the InChIKey of (4-fluoro-1,1-dioxothiolan-3-yl)methanol?
The InChIKey is DDJASPNEQHCTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FO3S/c6-5-3-10(8,9)2-4(5)1-7/h4-5,7H,1-3H2.
What are the key properties of (4-fluoro-1,1-dioxothiolan-3-yl)methanol?
(4-fluoro-1,1-dioxothiolan-3-yl)methanol has a molecular weight of 168.19 g/mol, XLogP of -0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-1,1-dioxothiolan-3-yl)methanol is sourced from PubChem (CID 105433703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).