3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-3-methyloxetane

C10H18F2O2 — CID 58044452

IUPAC3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-3-methyloxetane
SMILESCC1(COC(F)(F)C(C)(C)C)COC1
InChIInChI=1S/C10H18F2O2/c1-8(2,3)10(11,12)14-7-9(4)5-13-6-9/h5-7H2,1-4H3
InChIKeyMFDXIIACRABBCU-UHFFFAOYSA-N
MW208.25 g/mol
LogP2.68
Rot. Bonds3

About 3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-3-methyloxetane

3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-3-methyloxetane (PubChem CID 58044452) has the molecular formula C10H18F2O2 and a molecular weight of 208.25 g/mol. Its IUPAC name is 3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-3-methyloxetane.

Molecular Properties

Compound Name3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-3-methyloxetane
PubChem CID58044452
Molecular FormulaC10H18F2O2
Molecular Weight208.25 g/mol
Exact Mass208.13
IUPAC Name3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-3-methyloxetane
SMILESCC1(COC(F)(F)C(C)(C)C)COC1
InChIInChI=1S/C10H18F2O2/c1-8(2,3)10(11,12)14-7-9(4)5-13-6-9/h5-7H2,1-4H3
InChIKeyMFDXIIACRABBCU-UHFFFAOYSA-N
XLogP2.68
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-3-methyloxetane?
The IUPAC name of 3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-3-methyloxetane (CID 58044452) is 3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-3-methyloxetane.
What is the SMILES notation for 3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-3-methyloxetane?
The canonical SMILES for 3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-3-methyloxetane is CC1(COC(F)(F)C(C)(C)C)COC1.
What is the InChIKey of 3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-3-methyloxetane?
The InChIKey is MFDXIIACRABBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2O2/c1-8(2,3)10(11,12)14-7-9(4)5-13-6-9/h5-7H2,1-4H3.
What are the key properties of 3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-3-methyloxetane?
3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-3-methyloxetane has a molecular weight of 208.25 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-3-methyloxetane is sourced from PubChem (CID 58044452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).