(6R)-3,3-difluoro-10-methyl-1-oxaspiro[5.5]undecan-11-one

C11H16F2O2 — CID 130457373

IUPAC(6R)-3,3-difluoro-10-methyl-1-oxaspiro[5.5]undecan-11-one
SMILESCC1CCC[C@@]2(CCC(F)(F)CO2)C1=O
InChIInChI=1S/C11H16F2O2/c1-8-3-2-4-10(9(8)14)5-6-11(12,13)7-15-10/h8H,2-7H2,1H3/t8?,10-/m1/s1
InChIKeyBKPOGOOKPVGYCJ-LHIURRSHSA-N
MW218.24 g/mol
LogP2.56
Rot. Bonds

About (6R)-3,3-difluoro-10-methyl-1-oxaspiro[5.5]undecan-11-one

(6R)-3,3-difluoro-10-methyl-1-oxaspiro[5.5]undecan-11-one (PubChem CID 130457373) has the molecular formula C11H16F2O2 and a molecular weight of 218.24 g/mol. Its IUPAC name is (6R)-3,3-difluoro-10-methyl-1-oxaspiro[5.5]undecan-11-one.

Molecular Properties

Compound Name(6R)-3,3-difluoro-10-methyl-1-oxaspiro[5.5]undecan-11-one
PubChem CID130457373
Molecular FormulaC11H16F2O2
Molecular Weight218.24 g/mol
Exact Mass218.11
IUPAC Name(6R)-3,3-difluoro-10-methyl-1-oxaspiro[5.5]undecan-11-one
SMILESCC1CCC[C@@]2(CCC(F)(F)CO2)C1=O
InChIInChI=1S/C11H16F2O2/c1-8-3-2-4-10(9(8)14)5-6-11(12,13)7-15-10/h8H,2-7H2,1H3/t8?,10-/m1/s1
InChIKeyBKPOGOOKPVGYCJ-LHIURRSHSA-N
XLogP2.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.24
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Ethyl 4-(4,4-difluorocyclohexyl)-2-oxobutanoate
CID 86710078
1-(4,4-Difluoro-1-methoxycyclohexyl)-2-methylpropan-1-one
CID 89692015
1-[(2S)-5,5-difluoro-2-methyloxan-2-yl]-2-methylpropan-1-one
CID 89692478
1-[(2R)-5,5-difluoro-2-methyloxan-2-yl]-2-methylpropan-1-one
CID 89692481
1-[(2R)-4,4-difluoro-2-methyloxan-2-yl]-2-methylpropan-1-one
CID 89692494
1-(3,3-Difluoro-2-methyloxan-2-yl)-2,2-dimethylpropan-1-one
CID 89692586
1-[2-(Fluoromethyl)oxan-2-yl]-2-methylpropan-1-one
CID 89692615
1-[2-(Difluoromethyl)oxan-2-yl]-2,2-dimethylpropan-1-one
CID 89692616
1-[(2R)-5,5-difluoro-2-methyloxan-2-yl]-2,2-dimethylpropan-1-one
CID 117827945
1-[(2R)-5-fluoro-2,5-dimethyloxan-2-yl]-2-methylpropan-1-one
CID 117828024
1-[(2S)-5,5-difluoro-2-methyloxan-2-yl]-2,2-dimethylpropan-1-one
CID 118217501
1-[(2S)-5,5-difluoro-2-methyloxan-2-yl]propan-1-one
CID 118218394

Frequently Asked Questions

What is the IUPAC name of (6R)-3,3-difluoro-10-methyl-1-oxaspiro[5.5]undecan-11-one?
The IUPAC name of (6R)-3,3-difluoro-10-methyl-1-oxaspiro[5.5]undecan-11-one (CID 130457373) is (6R)-3,3-difluoro-10-methyl-1-oxaspiro[5.5]undecan-11-one.
What is the SMILES notation for (6R)-3,3-difluoro-10-methyl-1-oxaspiro[5.5]undecan-11-one?
The canonical SMILES for (6R)-3,3-difluoro-10-methyl-1-oxaspiro[5.5]undecan-11-one is CC1CCC[C@@]2(CCC(F)(F)CO2)C1=O.
What is the InChIKey of (6R)-3,3-difluoro-10-methyl-1-oxaspiro[5.5]undecan-11-one?
The InChIKey is BKPOGOOKPVGYCJ-LHIURRSHSA-N. The full InChI is InChI=1S/C11H16F2O2/c1-8-3-2-4-10(9(8)14)5-6-11(12,13)7-15-10/h8H,2-7H2,1H3/t8?,10-/m1/s1.
What are the key properties of (6R)-3,3-difluoro-10-methyl-1-oxaspiro[5.5]undecan-11-one?
(6R)-3,3-difluoro-10-methyl-1-oxaspiro[5.5]undecan-11-one has a molecular weight of 218.24 g/mol, XLogP of 2.56, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-3,3-difluoro-10-methyl-1-oxaspiro[5.5]undecan-11-one is sourced from PubChem (CID 130457373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).