1-(1,1-dioxothian-4-yl)-3,3,4,4-tetrafluoropentan-2-ol

C10H16F4O3S — CID 163639046

IUPAC1-(1,1-dioxothian-4-yl)-3,3,4,4-tetrafluoropentan-2-ol
SMILESCC(F)(F)C(F)(F)C(O)CC1CCS(=O)(=O)CC1
InChIInChI=1S/C10H16F4O3S/c1-9(11,12)10(13,14)8(15)6-7-2-4-18(16,17)5-3-7/h7-8,15H,2-6H2,1H3
InChIKeyCUUYKKDCFQXTMZ-UHFFFAOYSA-N
MW292.29 g/mol
LogP1.85
Rot. Bonds4

About 1-(1,1-dioxothian-4-yl)-3,3,4,4-tetrafluoropentan-2-ol

1-(1,1-dioxothian-4-yl)-3,3,4,4-tetrafluoropentan-2-ol (PubChem CID 163639046) has the molecular formula C10H16F4O3S and a molecular weight of 292.29 g/mol. Its IUPAC name is 1-(1,1-dioxothian-4-yl)-3,3,4,4-tetrafluoropentan-2-ol.

Molecular Properties

Compound Name1-(1,1-dioxothian-4-yl)-3,3,4,4-tetrafluoropentan-2-ol
PubChem CID163639046
Molecular FormulaC10H16F4O3S
Molecular Weight292.29 g/mol
Exact Mass292.08
IUPAC Name1-(1,1-dioxothian-4-yl)-3,3,4,4-tetrafluoropentan-2-ol
SMILESCC(F)(F)C(F)(F)C(O)CC1CCS(=O)(=O)CC1
InChIInChI=1S/C10H16F4O3S/c1-9(11,12)10(13,14)8(15)6-7-2-4-18(16,17)5-3-7/h7-8,15H,2-6H2,1H3
InChIKeyCUUYKKDCFQXTMZ-UHFFFAOYSA-N
XLogP1.85
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1-(1,1-dioxothian-4-yl)-3,3,4,4,4-pentafluorobutan-2-ol
CID 163639044
N-[2-(1,1-dioxothian-4-yl)ethyl]-N-methylhydroxylamine
CID 105460988
1-cyclohexyl-3,3-difluorobutan-2-ol
CID 131122835
1-(1,1-dioxothiolan-3-yl)-3-methylbut-3-en-2-ol
CID 105110471
4-(3-methylbutyl)thiane 1,1-dioxide
CID 155094619
1-[(1,1-dioxothian-4-yl)methyl]cyclopropan-1-ol
CID 84778007
1-chloro-3-cyclobutyl-1,1-difluoropropan-2-ol
CID 112575215
1-cyclopentyl-3-(1,1-dioxothiolan-3-yl)propan-2-ol
CID 105090384
(2R)-1,1,1-trifluoro-3-(4-methylcyclohexyl)propan-2-ol
CID 130596537
1-cyclobutyl-3,3-dimethylpentan-2-ol
CID 115802513
1-[(1,1-dioxothian-4-yl)methyl]cyclohexan-1-ol
CID 115073768
2-(1,1-dioxothian-4-yl)-2-fluoropropan-1-amine
CID 105463191

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothian-4-yl)-3,3,4,4-tetrafluoropentan-2-ol?
The IUPAC name of 1-(1,1-dioxothian-4-yl)-3,3,4,4-tetrafluoropentan-2-ol (CID 163639046) is 1-(1,1-dioxothian-4-yl)-3,3,4,4-tetrafluoropentan-2-ol.
What is the SMILES notation for 1-(1,1-dioxothian-4-yl)-3,3,4,4-tetrafluoropentan-2-ol?
The canonical SMILES for 1-(1,1-dioxothian-4-yl)-3,3,4,4-tetrafluoropentan-2-ol is CC(F)(F)C(F)(F)C(O)CC1CCS(=O)(=O)CC1.
What is the InChIKey of 1-(1,1-dioxothian-4-yl)-3,3,4,4-tetrafluoropentan-2-ol?
The InChIKey is CUUYKKDCFQXTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F4O3S/c1-9(11,12)10(13,14)8(15)6-7-2-4-18(16,17)5-3-7/h7-8,15H,2-6H2,1H3.
What are the key properties of 1-(1,1-dioxothian-4-yl)-3,3,4,4-tetrafluoropentan-2-ol?
1-(1,1-dioxothian-4-yl)-3,3,4,4-tetrafluoropentan-2-ol has a molecular weight of 292.29 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothian-4-yl)-3,3,4,4-tetrafluoropentan-2-ol is sourced from PubChem (CID 163639046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).