[4-(1,1-difluoroethyl)-1,1-dioxothian-4-yl]methanol

C8H14F2O3S — CID 84792195

IUPAC[4-(1,1-difluoroethyl)-1,1-dioxothian-4-yl]methanol
SMILESCC(F)(F)C1(CO)CCS(=O)(=O)CC1
InChIInChI=1S/C8H14F2O3S/c1-7(9,10)8(6-11)2-4-14(12,13)5-3-8/h11H,2-6H2,1H3
InChIKeyHZCAWULYKUKWSK-UHFFFAOYSA-N
MW228.26 g/mol
LogP0.83
Rot. Bonds2

About [4-(1,1-difluoroethyl)-1,1-dioxothian-4-yl]methanol

[4-(1,1-difluoroethyl)-1,1-dioxothian-4-yl]methanol (PubChem CID 84792195) has the molecular formula C8H14F2O3S and a molecular weight of 228.26 g/mol. Its IUPAC name is [4-(1,1-difluoroethyl)-1,1-dioxothian-4-yl]methanol.

Molecular Properties

Compound Name[4-(1,1-difluoroethyl)-1,1-dioxothian-4-yl]methanol
PubChem CID84792195
Molecular FormulaC8H14F2O3S
Molecular Weight228.26 g/mol
Exact Mass228.06
IUPAC Name[4-(1,1-difluoroethyl)-1,1-dioxothian-4-yl]methanol
SMILESCC(F)(F)C1(CO)CCS(=O)(=O)CC1
InChIInChI=1S/C8H14F2O3S/c1-7(9,10)8(6-11)2-4-14(12,13)5-3-8/h11H,2-6H2,1H3
InChIKeyHZCAWULYKUKWSK-UHFFFAOYSA-N
XLogP0.83
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3,3-Bis(trifluoromethyl)pentylsulfonyl]ethanol
CID 143625320
2-(4-Fluoro-1,1-dioxothian-4-yl)ethanol
CID 84666918
1-(1,1-Dioxothian-4-yl)-2,2,2-trifluoroethanol
CID 84695375
[4-(Fluoromethyl)-1,1-dioxothian-4-yl]methanol
CID 84773973
[4-(1,1-Difluoroethyl)thian-4-yl]methanol
CID 84774021
4-(Difluoromethyl)-4-(hydroxymethyl)-1lambda6-thiane-1,1-dione
CID 84783399
(3-Fluoro-1,1-dioxothian-4-yl)methanol
CID 105439987
(3-Fluoro-4-methyl-1,1-dioxothian-4-yl)methanol
CID 105449902
(4-Fluoro-3-methyl-1,1-dioxothian-3-yl)methanol
CID 105449903
(3,3-Difluoro-1,1-dioxothian-4-yl)methanol
CID 105452677
(4,4-Difluoro-3-methyl-1,1-dioxothiolan-3-yl)methanol
CID 105452678
2-(3,3-Difluoro-1,1-dioxothian-4-yl)ethanol
CID 105467497

Frequently Asked Questions

What is the IUPAC name of [4-(1,1-difluoroethyl)-1,1-dioxothian-4-yl]methanol?
The IUPAC name of [4-(1,1-difluoroethyl)-1,1-dioxothian-4-yl]methanol (CID 84792195) is [4-(1,1-difluoroethyl)-1,1-dioxothian-4-yl]methanol.
What is the SMILES notation for [4-(1,1-difluoroethyl)-1,1-dioxothian-4-yl]methanol?
The canonical SMILES for [4-(1,1-difluoroethyl)-1,1-dioxothian-4-yl]methanol is CC(F)(F)C1(CO)CCS(=O)(=O)CC1.
What is the InChIKey of [4-(1,1-difluoroethyl)-1,1-dioxothian-4-yl]methanol?
The InChIKey is HZCAWULYKUKWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2O3S/c1-7(9,10)8(6-11)2-4-14(12,13)5-3-8/h11H,2-6H2,1H3.
What are the key properties of [4-(1,1-difluoroethyl)-1,1-dioxothian-4-yl]methanol?
[4-(1,1-difluoroethyl)-1,1-dioxothian-4-yl]methanol has a molecular weight of 228.26 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,1-difluoroethyl)-1,1-dioxothian-4-yl]methanol is sourced from PubChem (CID 84792195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).