2-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-difluoroethanol

C10H16F2O3 — CID 163240184

IUPAC2-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-difluoroethanol
SMILESOCC(F)(F)C1CCC2(CC1)OCCO2
InChIInChI=1S/C10H16F2O3/c11-10(12,7-13)8-1-3-9(4-2-8)14-5-6-15-9/h8,13H,1-7H2
InChIKeyYBKBRJBPCHGHFM-UHFFFAOYSA-N
MW222.23 g/mol
LogP1.55
Rot. Bonds2

About 2-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-difluoroethanol

2-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-difluoroethanol (PubChem CID 163240184) has the molecular formula C10H16F2O3 and a molecular weight of 222.23 g/mol. Its IUPAC name is 2-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-difluoroethanol.

Molecular Properties

Compound Name2-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-difluoroethanol
PubChem CID163240184
Molecular FormulaC10H16F2O3
Molecular Weight222.23 g/mol
Exact Mass222.11
IUPAC Name2-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-difluoroethanol
SMILESOCC(F)(F)C1CCC2(CC1)OCCO2
InChIInChI=1S/C10H16F2O3/c11-10(12,7-13)8-1-3-9(4-2-8)14-5-6-15-9/h8,13H,1-7H2
InChIKeyYBKBRJBPCHGHFM-UHFFFAOYSA-N
XLogP1.55
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.23
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-difluoroethanol?
The IUPAC name of 2-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-difluoroethanol (CID 163240184) is 2-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-difluoroethanol.
What is the SMILES notation for 2-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-difluoroethanol?
The canonical SMILES for 2-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-difluoroethanol is OCC(F)(F)C1CCC2(CC1)OCCO2.
What is the InChIKey of 2-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-difluoroethanol?
The InChIKey is YBKBRJBPCHGHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2O3/c11-10(12,7-13)8-1-3-9(4-2-8)14-5-6-15-9/h8,13H,1-7H2.
What are the key properties of 2-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-difluoroethanol?
2-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-difluoroethanol has a molecular weight of 222.23 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-difluoroethanol is sourced from PubChem (CID 163240184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).