(5R,10R)-6,6-difluoro-2,2,10-trimethyl-1,3-dioxaspiro[4.5]dec-7-en-10-ol

C11H16F2O3 — CID 139190040

IUPAC(5R,10R)-6,6-difluoro-2,2,10-trimethyl-1,3-dioxaspiro[4.5]dec-7-en-10-ol
SMILESCC1(C)OC[C@]2(O1)C(F)(F)C=CC[C@@]2(C)O
InChIInChI=1S/C11H16F2O3/c1-8(2)15-7-10(16-8)9(3,14)5-4-6-11(10,12)13/h4,6,14H,5,7H2,1-3H3/t9-,10-/m1/s1
InChIKeyCBQGFBBKRLLFGF-NXEZZACHSA-N
MW234.24 g/mol
LogP1.85
Rot. Bonds

About (5R,10R)-6,6-difluoro-2,2,10-trimethyl-1,3-dioxaspiro[4.5]dec-7-en-10-ol

(5R,10R)-6,6-difluoro-2,2,10-trimethyl-1,3-dioxaspiro[4.5]dec-7-en-10-ol (PubChem CID 139190040) has the molecular formula C11H16F2O3 and a molecular weight of 234.24 g/mol. Its IUPAC name is (5R,10R)-6,6-difluoro-2,2,10-trimethyl-1,3-dioxaspiro[4.5]dec-7-en-10-ol.

Molecular Properties

Compound Name(5R,10R)-6,6-difluoro-2,2,10-trimethyl-1,3-dioxaspiro[4.5]dec-7-en-10-ol
PubChem CID139190040
Molecular FormulaC11H16F2O3
Molecular Weight234.24 g/mol
Exact Mass234.11
IUPAC Name(5R,10R)-6,6-difluoro-2,2,10-trimethyl-1,3-dioxaspiro[4.5]dec-7-en-10-ol
SMILESCC1(C)OC[C@]2(O1)C(F)(F)C=CC[C@@]2(C)O
InChIInChI=1S/C11H16F2O3/c1-8(2)15-7-10(16-8)9(3,14)5-4-6-11(10,12)13/h4,6,14H,5,7H2,1-3H3/t9-,10-/m1/s1
InChIKeyCBQGFBBKRLLFGF-NXEZZACHSA-N
XLogP1.85
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.24
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R,10R)-6,6-difluoro-2,2,10-trimethyl-1,3-dioxaspiro[4.5]dec-7-en-10-ol?
The IUPAC name of (5R,10R)-6,6-difluoro-2,2,10-trimethyl-1,3-dioxaspiro[4.5]dec-7-en-10-ol (CID 139190040) is (5R,10R)-6,6-difluoro-2,2,10-trimethyl-1,3-dioxaspiro[4.5]dec-7-en-10-ol.
What is the SMILES notation for (5R,10R)-6,6-difluoro-2,2,10-trimethyl-1,3-dioxaspiro[4.5]dec-7-en-10-ol?
The canonical SMILES for (5R,10R)-6,6-difluoro-2,2,10-trimethyl-1,3-dioxaspiro[4.5]dec-7-en-10-ol is CC1(C)OC[C@]2(O1)C(F)(F)C=CC[C@@]2(C)O.
What is the InChIKey of (5R,10R)-6,6-difluoro-2,2,10-trimethyl-1,3-dioxaspiro[4.5]dec-7-en-10-ol?
The InChIKey is CBQGFBBKRLLFGF-NXEZZACHSA-N. The full InChI is InChI=1S/C11H16F2O3/c1-8(2)15-7-10(16-8)9(3,14)5-4-6-11(10,12)13/h4,6,14H,5,7H2,1-3H3/t9-,10-/m1/s1.
What are the key properties of (5R,10R)-6,6-difluoro-2,2,10-trimethyl-1,3-dioxaspiro[4.5]dec-7-en-10-ol?
(5R,10R)-6,6-difluoro-2,2,10-trimethyl-1,3-dioxaspiro[4.5]dec-7-en-10-ol has a molecular weight of 234.24 g/mol, XLogP of 1.85, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,10R)-6,6-difluoro-2,2,10-trimethyl-1,3-dioxaspiro[4.5]dec-7-en-10-ol is sourced from PubChem (CID 139190040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).