1-(1,4-dioxan-2-yl)-5,5,5-trifluoropentan-1-ol

C9H15F3O3 — CID 112703961

IUPAC1-(1,4-dioxan-2-yl)-5,5,5-trifluoropentan-1-ol
SMILESOC(CCCC(F)(F)F)C1COCCO1
InChIInChI=1S/C9H15F3O3/c10-9(11,12)3-1-2-7(13)8-6-14-4-5-15-8/h7-8,13H,1-6H2
InChIKeyTYLDMYVVDWMWJK-UHFFFAOYSA-N
MW228.21 g/mol
LogP1.50
Rot. Bonds4

About 1-(1,4-dioxan-2-yl)-5,5,5-trifluoropentan-1-ol

1-(1,4-dioxan-2-yl)-5,5,5-trifluoropentan-1-ol (PubChem CID 112703961) has the molecular formula C9H15F3O3 and a molecular weight of 228.21 g/mol. Its IUPAC name is 1-(1,4-dioxan-2-yl)-5,5,5-trifluoropentan-1-ol.

Molecular Properties

Compound Name1-(1,4-dioxan-2-yl)-5,5,5-trifluoropentan-1-ol
PubChem CID112703961
Molecular FormulaC9H15F3O3
Molecular Weight228.21 g/mol
Exact Mass228.10
IUPAC Name1-(1,4-dioxan-2-yl)-5,5,5-trifluoropentan-1-ol
SMILESOC(CCCC(F)(F)F)C1COCCO1
InChIInChI=1S/C9H15F3O3/c10-9(11,12)3-1-2-7(13)8-6-14-4-5-15-8/h7-8,13H,1-6H2
InChIKeyTYLDMYVVDWMWJK-UHFFFAOYSA-N
XLogP1.50
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxan-2-yl)-5,5,5-trifluoropentan-1-ol?
The IUPAC name of 1-(1,4-dioxan-2-yl)-5,5,5-trifluoropentan-1-ol (CID 112703961) is 1-(1,4-dioxan-2-yl)-5,5,5-trifluoropentan-1-ol.
What is the SMILES notation for 1-(1,4-dioxan-2-yl)-5,5,5-trifluoropentan-1-ol?
The canonical SMILES for 1-(1,4-dioxan-2-yl)-5,5,5-trifluoropentan-1-ol is OC(CCCC(F)(F)F)C1COCCO1.
What is the InChIKey of 1-(1,4-dioxan-2-yl)-5,5,5-trifluoropentan-1-ol?
The InChIKey is TYLDMYVVDWMWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3O3/c10-9(11,12)3-1-2-7(13)8-6-14-4-5-15-8/h7-8,13H,1-6H2.
What are the key properties of 1-(1,4-dioxan-2-yl)-5,5,5-trifluoropentan-1-ol?
1-(1,4-dioxan-2-yl)-5,5,5-trifluoropentan-1-ol has a molecular weight of 228.21 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxan-2-yl)-5,5,5-trifluoropentan-1-ol is sourced from PubChem (CID 112703961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).