1-(5,6-dimethyl-1,4-dithian-2-yl)-5,5,5-trifluoropentan-1-ol

C11H19F3OS2 — CID 103345191

IUPAC1-(5,6-dimethyl-1,4-dithian-2-yl)-5,5,5-trifluoropentan-1-ol
SMILESCC1SCC(C(O)CCCC(F)(F)F)SC1C
InChIInChI=1S/C11H19F3OS2/c1-7-8(2)17-10(6-16-7)9(15)4-3-5-11(12,13)14/h7-10,15H,3-6H2,1-2H3
InChIKeyBDZUUPUIIRQXSG-UHFFFAOYSA-N
MW288.40 g/mol
LogP3.71
Rot. Bonds4

About 1-(5,6-dimethyl-1,4-dithian-2-yl)-5,5,5-trifluoropentan-1-ol

1-(5,6-dimethyl-1,4-dithian-2-yl)-5,5,5-trifluoropentan-1-ol (PubChem CID 103345191) has the molecular formula C11H19F3OS2 and a molecular weight of 288.40 g/mol. Its IUPAC name is 1-(5,6-dimethyl-1,4-dithian-2-yl)-5,5,5-trifluoropentan-1-ol.

Molecular Properties

Compound Name1-(5,6-dimethyl-1,4-dithian-2-yl)-5,5,5-trifluoropentan-1-ol
PubChem CID103345191
Molecular FormulaC11H19F3OS2
Molecular Weight288.40 g/mol
Exact Mass288.08
IUPAC Name1-(5,6-dimethyl-1,4-dithian-2-yl)-5,5,5-trifluoropentan-1-ol
SMILESCC1SCC(C(O)CCCC(F)(F)F)SC1C
InChIInChI=1S/C11H19F3OS2/c1-7-8(2)17-10(6-16-7)9(15)4-3-5-11(12,13)14/h7-10,15H,3-6H2,1-2H3
InChIKeyBDZUUPUIIRQXSG-UHFFFAOYSA-N
XLogP3.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(5,6-dimethyl-1,4-dithian-2-yl)-5,5,5-trifluoropentan-1-ol with MolForge

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Related Compounds

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CID 18940175
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4-[3-(Trifluoromethylsulfanyl)propylsulfanyl]pentan-2-ol
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(2R)-1-(7,7,7-trifluoroheptylsulfanyl)propan-2-ol
CID 142012406
1-(2-Ethyl-1,3-dithian-2-yl)butan-1-ol
CID 12476962
1,1,1-Trifluoro-3-octylsulfanylbutan-2-ol
CID 10265268
1-Butan-2-ylsulfanyl-5,5,5-trifluoropentan-2-ol
CID 65136348
1-Cyclohexylsulfanyl-5,5,5-trifluoropentan-2-ol
CID 65139989
1-(1,4-Dithian-2-yl)-4,4,4-trifluorobutan-1-ol
CID 79972842
4,4,4-Trifluoro-1-(thian-2-yl)butan-1-ol
CID 80622453
8,8,8-Trifluoro-1-methylsulfanyloctan-4-ol
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CID 103089790

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dimethyl-1,4-dithian-2-yl)-5,5,5-trifluoropentan-1-ol?
The IUPAC name of 1-(5,6-dimethyl-1,4-dithian-2-yl)-5,5,5-trifluoropentan-1-ol (CID 103345191) is 1-(5,6-dimethyl-1,4-dithian-2-yl)-5,5,5-trifluoropentan-1-ol.
What is the SMILES notation for 1-(5,6-dimethyl-1,4-dithian-2-yl)-5,5,5-trifluoropentan-1-ol?
The canonical SMILES for 1-(5,6-dimethyl-1,4-dithian-2-yl)-5,5,5-trifluoropentan-1-ol is CC1SCC(C(O)CCCC(F)(F)F)SC1C.
What is the InChIKey of 1-(5,6-dimethyl-1,4-dithian-2-yl)-5,5,5-trifluoropentan-1-ol?
The InChIKey is BDZUUPUIIRQXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3OS2/c1-7-8(2)17-10(6-16-7)9(15)4-3-5-11(12,13)14/h7-10,15H,3-6H2,1-2H3.
What are the key properties of 1-(5,6-dimethyl-1,4-dithian-2-yl)-5,5,5-trifluoropentan-1-ol?
1-(5,6-dimethyl-1,4-dithian-2-yl)-5,5,5-trifluoropentan-1-ol has a molecular weight of 288.40 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dimethyl-1,4-dithian-2-yl)-5,5,5-trifluoropentan-1-ol is sourced from PubChem (CID 103345191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).