1-[(2R)-2-ethyl-5,5-difluorooxan-2-yl]-2-methylpropan-1-one

C11H18F2O2 — CID 130457673

IUPAC1-[(2R)-2-ethyl-5,5-difluorooxan-2-yl]-2-methylpropan-1-one
SMILESCC[C@]1(C(=O)C(C)C)CCC(F)(F)CO1
InChIInChI=1S/C11H18F2O2/c1-4-10(9(14)8(2)3)5-6-11(12,13)7-15-10/h8H,4-7H2,1-3H3/t10-/m1/s1
InChIKeyWRQJCKPJGMTJQB-SNVBAGLBSA-N
MW220.26 g/mol
LogP2.81
Rot. Bonds3

About 1-[(2R)-2-ethyl-5,5-difluorooxan-2-yl]-2-methylpropan-1-one

1-[(2R)-2-ethyl-5,5-difluorooxan-2-yl]-2-methylpropan-1-one (PubChem CID 130457673) has the molecular formula C11H18F2O2 and a molecular weight of 220.26 g/mol. Its IUPAC name is 1-[(2R)-2-ethyl-5,5-difluorooxan-2-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[(2R)-2-ethyl-5,5-difluorooxan-2-yl]-2-methylpropan-1-one
PubChem CID130457673
Molecular FormulaC11H18F2O2
Molecular Weight220.26 g/mol
Exact Mass220.13
IUPAC Name1-[(2R)-2-ethyl-5,5-difluorooxan-2-yl]-2-methylpropan-1-one
SMILESCC[C@]1(C(=O)C(C)C)CCC(F)(F)CO1
InChIInChI=1S/C11H18F2O2/c1-4-10(9(14)8(2)3)5-6-11(12,13)7-15-10/h8H,4-7H2,1-3H3/t10-/m1/s1
InChIKeyWRQJCKPJGMTJQB-SNVBAGLBSA-N
XLogP2.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 52.81
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-[2-(Fluoromethyl)oxan-2-yl]ethanone
CID 89692979
1-[2-(Difluoromethyl)oxan-2-yl]ethanone
CID 89692982
1-[(2S)-5,5-difluoro-2-methyloxan-2-yl]ethanone
CID 89694491
1-[(2R)-4,4-difluoro-2-methyloxan-2-yl]ethanone
CID 89694508

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-ethyl-5,5-difluorooxan-2-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[(2R)-2-ethyl-5,5-difluorooxan-2-yl]-2-methylpropan-1-one (CID 130457673) is 1-[(2R)-2-ethyl-5,5-difluorooxan-2-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[(2R)-2-ethyl-5,5-difluorooxan-2-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[(2R)-2-ethyl-5,5-difluorooxan-2-yl]-2-methylpropan-1-one is CC[C@]1(C(=O)C(C)C)CCC(F)(F)CO1.
What is the InChIKey of 1-[(2R)-2-ethyl-5,5-difluorooxan-2-yl]-2-methylpropan-1-one?
The InChIKey is WRQJCKPJGMTJQB-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H18F2O2/c1-4-10(9(14)8(2)3)5-6-11(12,13)7-15-10/h8H,4-7H2,1-3H3/t10-/m1/s1.
What are the key properties of 1-[(2R)-2-ethyl-5,5-difluorooxan-2-yl]-2-methylpropan-1-one?
1-[(2R)-2-ethyl-5,5-difluorooxan-2-yl]-2-methylpropan-1-one has a molecular weight of 220.26 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-ethyl-5,5-difluorooxan-2-yl]-2-methylpropan-1-one is sourced from PubChem (CID 130457673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).