1-(1,1-dioxothiolan-2-yl)-1,1-difluoropropan-2-ol

C7H12F2O3S — CID 105467505

IUPAC1-(1,1-dioxothiolan-2-yl)-1,1-difluoropropan-2-ol
SMILESCC(O)C(F)(F)C1CCCS1(=O)=O
InChIInChI=1S/C7H12F2O3S/c1-5(10)7(8,9)6-3-2-4-13(6,11)12/h5-6,10H,2-4H2,1H3
InChIKeyNORNKCBWNINJFA-UHFFFAOYSA-N
MW214.23 g/mol
LogP0.58
Rot. Bonds2

About 1-(1,1-dioxothiolan-2-yl)-1,1-difluoropropan-2-ol

1-(1,1-dioxothiolan-2-yl)-1,1-difluoropropan-2-ol (PubChem CID 105467505) has the molecular formula C7H12F2O3S and a molecular weight of 214.23 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-2-yl)-1,1-difluoropropan-2-ol.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-2-yl)-1,1-difluoropropan-2-ol
PubChem CID105467505
Molecular FormulaC7H12F2O3S
Molecular Weight214.23 g/mol
Exact Mass214.05
IUPAC Name1-(1,1-dioxothiolan-2-yl)-1,1-difluoropropan-2-ol
SMILESCC(O)C(F)(F)C1CCCS1(=O)=O
InChIInChI=1S/C7H12F2O3S/c1-5(10)7(8,9)6-3-2-4-13(6,11)12/h5-6,10H,2-4H2,1H3
InChIKeyNORNKCBWNINJFA-UHFFFAOYSA-N
XLogP0.58
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4,4,5,5,5-Pentafluoropentylsulfonyl)heptan-4-ol
CID 88160742
(2R)-8-(4,4,4-trifluorobutylsulfonyl)octan-2-ol
CID 161050588
(2S)-8-(4,4,4-trifluorobutylsulfonyl)octan-2-ol
CID 161050589
1,1,1-Trifluoro-5-methylsulfonylpentan-2-ol
CID 63191935
1,1,1-Trifluoro-6-methylsulfonylhexan-3-ol
CID 63192213
6-Ethylsulfonyl-1,1,1-trifluorohexan-3-ol
CID 65095387
5-Ethylsulfonyl-1,1,1-trifluoropentan-2-ol
CID 65095940
1,1,1-Trifluoro-7-methylsulfonylheptan-4-ol
CID 79952566
6,6,6-Trifluoro-1-methylsulfonylhexan-3-ol
CID 79953152
7-Ethylsulfonyl-1,1,1-trifluoroheptan-4-ol
CID 79953577
(2S)-5-ethylsulfonyl-1,1,1-trifluoropentan-2-ol
CID 104373823
(2S)-1,1,1-trifluoro-5-methylsulfonylpentan-2-ol
CID 104373849

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-2-yl)-1,1-difluoropropan-2-ol?
The IUPAC name of 1-(1,1-dioxothiolan-2-yl)-1,1-difluoropropan-2-ol (CID 105467505) is 1-(1,1-dioxothiolan-2-yl)-1,1-difluoropropan-2-ol.
What is the SMILES notation for 1-(1,1-dioxothiolan-2-yl)-1,1-difluoropropan-2-ol?
The canonical SMILES for 1-(1,1-dioxothiolan-2-yl)-1,1-difluoropropan-2-ol is CC(O)C(F)(F)C1CCCS1(=O)=O.
What is the InChIKey of 1-(1,1-dioxothiolan-2-yl)-1,1-difluoropropan-2-ol?
The InChIKey is NORNKCBWNINJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2O3S/c1-5(10)7(8,9)6-3-2-4-13(6,11)12/h5-6,10H,2-4H2,1H3.
What are the key properties of 1-(1,1-dioxothiolan-2-yl)-1,1-difluoropropan-2-ol?
1-(1,1-dioxothiolan-2-yl)-1,1-difluoropropan-2-ol has a molecular weight of 214.23 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothiolan-2-yl)-1,1-difluoropropan-2-ol is sourced from PubChem (CID 105467505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).