1-(1,1-dioxothiolan-3-yl)-5,5,5-trifluoropentan-2-ol

C9H15F3O3S — CID 105104651

IUPAC1-(1,1-dioxothiolan-3-yl)-5,5,5-trifluoropentan-2-ol
SMILESO=S1(=O)CCC(CC(O)CCC(F)(F)F)C1
InChIInChI=1S/C9H15F3O3S/c10-9(11,12)3-1-8(13)5-7-2-4-16(14,15)6-7/h7-8,13H,1-6H2
InChIKeyYPIHNBDFEMJHBH-UHFFFAOYSA-N
MW260.28 g/mol
LogP1.51
Rot. Bonds4

About 1-(1,1-dioxothiolan-3-yl)-5,5,5-trifluoropentan-2-ol

1-(1,1-dioxothiolan-3-yl)-5,5,5-trifluoropentan-2-ol (PubChem CID 105104651) has the molecular formula C9H15F3O3S and a molecular weight of 260.28 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)-5,5,5-trifluoropentan-2-ol.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-3-yl)-5,5,5-trifluoropentan-2-ol
PubChem CID105104651
Molecular FormulaC9H15F3O3S
Molecular Weight260.28 g/mol
Exact Mass260.07
IUPAC Name1-(1,1-dioxothiolan-3-yl)-5,5,5-trifluoropentan-2-ol
SMILESO=S1(=O)CCC(CC(O)CCC(F)(F)F)C1
InChIInChI=1S/C9H15F3O3S/c10-9(11,12)3-1-8(13)5-7-2-4-16(14,15)6-7/h7-8,13H,1-6H2
InChIKeyYPIHNBDFEMJHBH-UHFFFAOYSA-N
XLogP1.51
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 51.51
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
4-Ethylsulfonyl-1-[3-(trifluoromethyl)cyclohexyl]butan-1-ol
CID 105101776
5,5,5-Trifluoro-1-(thiolan-3-yl)pentan-1-ol
CID 105120652
1-(1,1-Dioxothiolan-3-yl)-1-fluoropropan-2-ol
CID 105449909
4-(1,1-Dioxothiolan-3-yl)-3-fluorobutan-2-ol
CID 105464112
3-(1,1-Dioxothiolan-3-yl)-2,2-difluoropropan-1-ol
CID 105467500
1-(1,1-Dioxothiolan-3-yl)-1,1-difluoropropan-2-ol
CID 105467504
4-(1,1-Dioxothiolan-3-yl)-3,3-difluorobutan-2-ol
CID 105485478
1-(1,1-Dioxothian-3-yl)-1,1-difluoropropan-2-ol
CID 105485480
1-(1,1-Dioxothian-4-yl)-1,1-difluoropropan-2-ol
CID 105485481
1-(1,1-Dioxothiolan-3-yl)-6,6,6-trifluorohexan-2-ol
CID 113682976
1-(3,3-Difluorocyclopentyl)-4-ethylsulfonylbutan-1-ol
CID 114215860

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-3-yl)-5,5,5-trifluoropentan-2-ol?
The IUPAC name of 1-(1,1-dioxothiolan-3-yl)-5,5,5-trifluoropentan-2-ol (CID 105104651) is 1-(1,1-dioxothiolan-3-yl)-5,5,5-trifluoropentan-2-ol.
What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)-5,5,5-trifluoropentan-2-ol?
The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)-5,5,5-trifluoropentan-2-ol is O=S1(=O)CCC(CC(O)CCC(F)(F)F)C1.
What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)-5,5,5-trifluoropentan-2-ol?
The InChIKey is YPIHNBDFEMJHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3O3S/c10-9(11,12)3-1-8(13)5-7-2-4-16(14,15)6-7/h7-8,13H,1-6H2.
What are the key properties of 1-(1,1-dioxothiolan-3-yl)-5,5,5-trifluoropentan-2-ol?
1-(1,1-dioxothiolan-3-yl)-5,5,5-trifluoropentan-2-ol has a molecular weight of 260.28 g/mol, XLogP of 1.51, 4 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)-5,5,5-trifluoropentan-2-ol is sourced from PubChem (CID 105104651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).