1-[(2S)-2-ethyl-4,4-difluorooxolan-2-yl]-2-methylpropan-1-one

C10H16F2O2 — CID 130457227

IUPAC1-[(2S)-2-ethyl-4,4-difluorooxolan-2-yl]-2-methylpropan-1-one
SMILESCC[C@@]1(C(=O)C(C)C)CC(F)(F)CO1
InChIInChI=1S/C10H16F2O2/c1-4-9(8(13)7(2)3)5-10(11,12)6-14-9/h7H,4-6H2,1-3H3/t9-/m0/s1
InChIKeyYJNKNHPCMXGTTD-VIFPVBQESA-N
MW206.23 g/mol
LogP2.42
Rot. Bonds3

About 1-[(2S)-2-ethyl-4,4-difluorooxolan-2-yl]-2-methylpropan-1-one

1-[(2S)-2-ethyl-4,4-difluorooxolan-2-yl]-2-methylpropan-1-one (PubChem CID 130457227) has the molecular formula C10H16F2O2 and a molecular weight of 206.23 g/mol. Its IUPAC name is 1-[(2S)-2-ethyl-4,4-difluorooxolan-2-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[(2S)-2-ethyl-4,4-difluorooxolan-2-yl]-2-methylpropan-1-one
PubChem CID130457227
Molecular FormulaC10H16F2O2
Molecular Weight206.23 g/mol
Exact Mass206.11
IUPAC Name1-[(2S)-2-ethyl-4,4-difluorooxolan-2-yl]-2-methylpropan-1-one
SMILESCC[C@@]1(C(=O)C(C)C)CC(F)(F)CO1
InChIInChI=1S/C10H16F2O2/c1-4-9(8(13)7(2)3)5-10(11,12)6-14-9/h7H,4-6H2,1-3H3/t9-/m0/s1
InChIKeyYJNKNHPCMXGTTD-VIFPVBQESA-N
XLogP2.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.23
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-ethyl-4,4-difluorooxolan-2-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[(2S)-2-ethyl-4,4-difluorooxolan-2-yl]-2-methylpropan-1-one (CID 130457227) is 1-[(2S)-2-ethyl-4,4-difluorooxolan-2-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[(2S)-2-ethyl-4,4-difluorooxolan-2-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[(2S)-2-ethyl-4,4-difluorooxolan-2-yl]-2-methylpropan-1-one is CC[C@@]1(C(=O)C(C)C)CC(F)(F)CO1.
What is the InChIKey of 1-[(2S)-2-ethyl-4,4-difluorooxolan-2-yl]-2-methylpropan-1-one?
The InChIKey is YJNKNHPCMXGTTD-VIFPVBQESA-N. The full InChI is InChI=1S/C10H16F2O2/c1-4-9(8(13)7(2)3)5-10(11,12)6-14-9/h7H,4-6H2,1-3H3/t9-/m0/s1.
What are the key properties of 1-[(2S)-2-ethyl-4,4-difluorooxolan-2-yl]-2-methylpropan-1-one?
1-[(2S)-2-ethyl-4,4-difluorooxolan-2-yl]-2-methylpropan-1-one has a molecular weight of 206.23 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-ethyl-4,4-difluorooxolan-2-yl]-2-methylpropan-1-one is sourced from PubChem (CID 130457227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).