1-(1,1-dioxothiolan-3-yl)-1,1-difluoropropan-2-ol

C7H12F2O3S — CID 105467504

IUPAC1-(1,1-dioxothiolan-3-yl)-1,1-difluoropropan-2-ol
SMILESCC(O)C(F)(F)C1CCS(=O)(=O)C1
InChIInChI=1S/C7H12F2O3S/c1-5(10)7(8,9)6-2-3-13(11,12)4-6/h5-6,10H,2-4H2,1H3
InChIKeyRQNJOINYTLXEMD-UHFFFAOYSA-N
MW214.23 g/mol
LogP0.44
Rot. Bonds2

About 1-(1,1-dioxothiolan-3-yl)-1,1-difluoropropan-2-ol

1-(1,1-dioxothiolan-3-yl)-1,1-difluoropropan-2-ol (PubChem CID 105467504) has the molecular formula C7H12F2O3S and a molecular weight of 214.23 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)-1,1-difluoropropan-2-ol.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-3-yl)-1,1-difluoropropan-2-ol
PubChem CID105467504
Molecular FormulaC7H12F2O3S
Molecular Weight214.23 g/mol
Exact Mass214.05
IUPAC Name1-(1,1-dioxothiolan-3-yl)-1,1-difluoropropan-2-ol
SMILESCC(O)C(F)(F)C1CCS(=O)(=O)C1
InChIInChI=1S/C7H12F2O3S/c1-5(10)7(8,9)6-2-3-13(11,12)4-6/h5-6,10H,2-4H2,1H3
InChIKeyRQNJOINYTLXEMD-UHFFFAOYSA-N
XLogP0.44
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 ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,5R)-5-(difluoromethyl)-1,1-dioxothiepan-3-ol
CID 118370624
2-(Triflylmethyl)cyclopentan-1-ol
CID 13581959
4-(3,3,3-Trifluoropropyl)thiolan-3-ol
CID 83191451
4-(3,3,3-Trifluoro-2-hydroxypropyl)thiolan-3-ol
CID 83191548
1,1,1-Trifluoro-6-methylsulfonyl-2-(trifluoromethyl)hexan-3-ol
CID 103312450
6-Ethylsulfonyl-1,1,1-trifluoro-2-(trifluoromethyl)hexan-3-ol
CID 103312526
1-(1,1-Dioxothiolan-3-yl)-5,5,5-trifluoropentan-2-ol
CID 105104651
2-(4-Fluoro-1,1-dioxothiolan-3-yl)ethanol
CID 105439990
2-(1,1-Dioxothiolan-3-yl)-2-fluoroethanol
CID 105439991
1,1-Difluoro-1-(thiolan-3-yl)propan-2-ol
CID 105440138
3-(1,1-Dioxothiolan-3-yl)-2-fluoropropan-1-ol
CID 105449905
1-(1,1-Dioxothiolan-3-yl)-1-fluoropropan-2-ol
CID 105449909

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-3-yl)-1,1-difluoropropan-2-ol?
The IUPAC name of 1-(1,1-dioxothiolan-3-yl)-1,1-difluoropropan-2-ol (CID 105467504) is 1-(1,1-dioxothiolan-3-yl)-1,1-difluoropropan-2-ol.
What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)-1,1-difluoropropan-2-ol?
The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)-1,1-difluoropropan-2-ol is CC(O)C(F)(F)C1CCS(=O)(=O)C1.
What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)-1,1-difluoropropan-2-ol?
The InChIKey is RQNJOINYTLXEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2O3S/c1-5(10)7(8,9)6-2-3-13(11,12)4-6/h5-6,10H,2-4H2,1H3.
What are the key properties of 1-(1,1-dioxothiolan-3-yl)-1,1-difluoropropan-2-ol?
1-(1,1-dioxothiolan-3-yl)-1,1-difluoropropan-2-ol has a molecular weight of 214.23 g/mol, XLogP of 0.44, 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-3-yl)-1,1-difluoropropan-2-ol is sourced from PubChem (CID 105467504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).