1-(1,1-dioxothian-2-yl)-5,5,5-trifluoropentan-1-ol

C10H17F3O3S — CID 115828338

IUPAC1-(1,1-dioxothian-2-yl)-5,5,5-trifluoropentan-1-ol
SMILESO=S1(=O)CCCCC1C(O)CCCC(F)(F)F
InChIInChI=1S/C10H17F3O3S/c11-10(12,13)6-3-4-8(14)9-5-1-2-7-17(9,15)16/h8-9,14H,1-7H2
InChIKeyRXDMGBHNDIBZGF-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.05
Rot. Bonds4

About 1-(1,1-dioxothian-2-yl)-5,5,5-trifluoropentan-1-ol

1-(1,1-dioxothian-2-yl)-5,5,5-trifluoropentan-1-ol (PubChem CID 115828338) has the molecular formula C10H17F3O3S and a molecular weight of 274.30 g/mol. Its IUPAC name is 1-(1,1-dioxothian-2-yl)-5,5,5-trifluoropentan-1-ol.

Molecular Properties

Compound Name1-(1,1-dioxothian-2-yl)-5,5,5-trifluoropentan-1-ol
PubChem CID115828338
Molecular FormulaC10H17F3O3S
Molecular Weight274.30 g/mol
Exact Mass274.09
IUPAC Name1-(1,1-dioxothian-2-yl)-5,5,5-trifluoropentan-1-ol
SMILESO=S1(=O)CCCCC1C(O)CCCC(F)(F)F
InChIInChI=1S/C10H17F3O3S/c11-10(12,13)6-3-4-8(14)9-5-1-2-7-17(9,15)16/h8-9,14H,1-7H2
InChIKeyRXDMGBHNDIBZGF-UHFFFAOYSA-N
XLogP2.05
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothian-2-yl)-5,5,5-trifluoropentan-1-ol?
The IUPAC name of 1-(1,1-dioxothian-2-yl)-5,5,5-trifluoropentan-1-ol (CID 115828338) is 1-(1,1-dioxothian-2-yl)-5,5,5-trifluoropentan-1-ol.
What is the SMILES notation for 1-(1,1-dioxothian-2-yl)-5,5,5-trifluoropentan-1-ol?
The canonical SMILES for 1-(1,1-dioxothian-2-yl)-5,5,5-trifluoropentan-1-ol is O=S1(=O)CCCCC1C(O)CCCC(F)(F)F.
What is the InChIKey of 1-(1,1-dioxothian-2-yl)-5,5,5-trifluoropentan-1-ol?
The InChIKey is RXDMGBHNDIBZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3O3S/c11-10(12,13)6-3-4-8(14)9-5-1-2-7-17(9,15)16/h8-9,14H,1-7H2.
What are the key properties of 1-(1,1-dioxothian-2-yl)-5,5,5-trifluoropentan-1-ol?
1-(1,1-dioxothian-2-yl)-5,5,5-trifluoropentan-1-ol has a molecular weight of 274.30 g/mol, XLogP of 2.05, 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-2-yl)-5,5,5-trifluoropentan-1-ol is sourced from PubChem (CID 115828338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).