3,3-bis(2,2,2-trifluoroethoxymethyl)oxetane

C9H12F6O3 — CID 11818371

IUPAC3,3-bis(2,2,2-trifluoroethoxymethyl)oxetane
SMILESFC(F)(F)COCC1(COCC(F)(F)F)COC1
InChIInChI=1S/C9H12F6O3/c10-8(11,12)5-17-3-7(1-16-2-7)4-18-6-9(13,14)15/h1-6H2
InChIKeyVMJRXKQPAMYKLG-UHFFFAOYSA-N
MW282.18 g/mol
LogP2.16
Rot. Bonds6

About 3,3-bis(2,2,2-trifluoroethoxymethyl)oxetane

3,3-bis(2,2,2-trifluoroethoxymethyl)oxetane (PubChem CID 11818371) has the molecular formula C9H12F6O3 and a molecular weight of 282.18 g/mol. Its IUPAC name is 3,3-bis(2,2,2-trifluoroethoxymethyl)oxetane.

Molecular Properties

Compound Name3,3-bis(2,2,2-trifluoroethoxymethyl)oxetane
PubChem CID11818371
Molecular FormulaC9H12F6O3
Molecular Weight282.18 g/mol
Exact Mass282.07
IUPAC Name3,3-bis(2,2,2-trifluoroethoxymethyl)oxetane
SMILESFC(F)(F)COCC1(COCC(F)(F)F)COC1
InChIInChI=1S/C9H12F6O3/c10-8(11,12)5-17-3-7(1-16-2-7)4-18-6-9(13,14)15/h1-6H2
InChIKeyVMJRXKQPAMYKLG-UHFFFAOYSA-N
XLogP2.16
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.18
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-bis(2,2,2-trifluoroethoxymethyl)oxetane?
The IUPAC name of 3,3-bis(2,2,2-trifluoroethoxymethyl)oxetane (CID 11818371) is 3,3-bis(2,2,2-trifluoroethoxymethyl)oxetane.
What is the SMILES notation for 3,3-bis(2,2,2-trifluoroethoxymethyl)oxetane?
The canonical SMILES for 3,3-bis(2,2,2-trifluoroethoxymethyl)oxetane is FC(F)(F)COCC1(COCC(F)(F)F)COC1.
What is the InChIKey of 3,3-bis(2,2,2-trifluoroethoxymethyl)oxetane?
The InChIKey is VMJRXKQPAMYKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F6O3/c10-8(11,12)5-17-3-7(1-16-2-7)4-18-6-9(13,14)15/h1-6H2.
What are the key properties of 3,3-bis(2,2,2-trifluoroethoxymethyl)oxetane?
3,3-bis(2,2,2-trifluoroethoxymethyl)oxetane has a molecular weight of 282.18 g/mol, XLogP of 2.16, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(2,2,2-trifluoroethoxymethyl)oxetane is sourced from PubChem (CID 11818371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).