8-(5,5,5-trifluoropentyl)-1,4-dioxaspiro[4.5]decane

C13H21F3O2 — CID 58329762

IUPAC8-(5,5,5-trifluoropentyl)-1,4-dioxaspiro[4.5]decane
SMILESFC(F)(F)CCCCC1CCC2(CC1)OCCO2
InChIInChI=1S/C13H21F3O2/c14-13(15,16)6-2-1-3-11-4-7-12(8-5-11)17-9-10-18-12/h11H,1-10H2
InChIKeyFAVXKPICYUBTFC-UHFFFAOYSA-N
MW266.30 g/mol
LogP4.04
Rot. Bonds4

About 8-(5,5,5-trifluoropentyl)-1,4-dioxaspiro[4.5]decane

8-(5,5,5-trifluoropentyl)-1,4-dioxaspiro[4.5]decane (PubChem CID 58329762) has the molecular formula C13H21F3O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 8-(5,5,5-trifluoropentyl)-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name8-(5,5,5-trifluoropentyl)-1,4-dioxaspiro[4.5]decane
PubChem CID58329762
Molecular FormulaC13H21F3O2
Molecular Weight266.30 g/mol
Exact Mass266.15
IUPAC Name8-(5,5,5-trifluoropentyl)-1,4-dioxaspiro[4.5]decane
SMILESFC(F)(F)CCCCC1CCC2(CC1)OCCO2
InChIInChI=1S/C13H21F3O2/c14-13(15,16)6-2-1-3-11-4-7-12(8-5-11)17-9-10-18-12/h11H,1-10H2
InChIKeyFAVXKPICYUBTFC-UHFFFAOYSA-N
XLogP4.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-(5,5,5-trifluoropentyl)-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 8-(5,5,5-trifluoropentyl)-1,4-dioxaspiro[4.5]decane (CID 58329762) is 8-(5,5,5-trifluoropentyl)-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 8-(5,5,5-trifluoropentyl)-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 8-(5,5,5-trifluoropentyl)-1,4-dioxaspiro[4.5]decane is FC(F)(F)CCCCC1CCC2(CC1)OCCO2.
What is the InChIKey of 8-(5,5,5-trifluoropentyl)-1,4-dioxaspiro[4.5]decane?
The InChIKey is FAVXKPICYUBTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3O2/c14-13(15,16)6-2-1-3-11-4-7-12(8-5-11)17-9-10-18-12/h11H,1-10H2.
What are the key properties of 8-(5,5,5-trifluoropentyl)-1,4-dioxaspiro[4.5]decane?
8-(5,5,5-trifluoropentyl)-1,4-dioxaspiro[4.5]decane has a molecular weight of 266.30 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5,5,5-trifluoropentyl)-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 58329762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).