1-(5,5-difluorooxan-2-yl)-2-methylpropan-1-one

C9H14F2O2 — CID 134570924

IUPAC1-(5,5-difluorooxan-2-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)C1CCC(F)(F)CO1
InChIInChI=1S/C9H14F2O2/c1-6(2)8(12)7-3-4-9(10,11)5-13-7/h6-7H,3-5H2,1-2H3
InChIKeyZVFSQONMMZMLGV-UHFFFAOYSA-N
MW192.20 g/mol
LogP2.03
Rot. Bonds2

About 1-(5,5-difluorooxan-2-yl)-2-methylpropan-1-one

1-(5,5-difluorooxan-2-yl)-2-methylpropan-1-one (PubChem CID 134570924) has the molecular formula C9H14F2O2 and a molecular weight of 192.20 g/mol. Its IUPAC name is 1-(5,5-difluorooxan-2-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(5,5-difluorooxan-2-yl)-2-methylpropan-1-one
PubChem CID134570924
Molecular FormulaC9H14F2O2
Molecular Weight192.20 g/mol
Exact Mass192.10
IUPAC Name1-(5,5-difluorooxan-2-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)C1CCC(F)(F)CO1
InChIInChI=1S/C9H14F2O2/c1-6(2)8(12)7-3-4-9(10,11)5-13-7/h6-7H,3-5H2,1-2H3
InChIKeyZVFSQONMMZMLGV-UHFFFAOYSA-N
XLogP2.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.20
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5,5-difluorooxan-2-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(5,5-difluorooxan-2-yl)-2-methylpropan-1-one (CID 134570924) is 1-(5,5-difluorooxan-2-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(5,5-difluorooxan-2-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(5,5-difluorooxan-2-yl)-2-methylpropan-1-one is CC(C)C(=O)C1CCC(F)(F)CO1.
What is the InChIKey of 1-(5,5-difluorooxan-2-yl)-2-methylpropan-1-one?
The InChIKey is ZVFSQONMMZMLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2O2/c1-6(2)8(12)7-3-4-9(10,11)5-13-7/h6-7H,3-5H2,1-2H3.
What are the key properties of 1-(5,5-difluorooxan-2-yl)-2-methylpropan-1-one?
1-(5,5-difluorooxan-2-yl)-2-methylpropan-1-one has a molecular weight of 192.20 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,5-difluorooxan-2-yl)-2-methylpropan-1-one is sourced from PubChem (CID 134570924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).