2-fluoro-2-(fluoromethyl)-3-methyloxetane

C5H8F2O — CID 58936780

IUPAC2-fluoro-2-(fluoromethyl)-3-methyloxetane
SMILESCC1COC1(F)CF
InChIInChI=1S/C5H8F2O/c1-4-2-8-5(4,7)3-6/h4H,2-3H2,1H3
InChIKeyXLPGCRRVOZGEPC-UHFFFAOYSA-N
MW122.11 g/mol
LogP1.29
Rot. Bonds1

About 2-fluoro-2-(fluoromethyl)-3-methyloxetane

2-fluoro-2-(fluoromethyl)-3-methyloxetane (PubChem CID 58936780) has the molecular formula C5H8F2O and a molecular weight of 122.11 g/mol. Its IUPAC name is 2-fluoro-2-(fluoromethyl)-3-methyloxetane.

Molecular Properties

Compound Name2-fluoro-2-(fluoromethyl)-3-methyloxetane
PubChem CID58936780
Molecular FormulaC5H8F2O
Molecular Weight122.11 g/mol
Exact Mass122.05
IUPAC Name2-fluoro-2-(fluoromethyl)-3-methyloxetane
SMILESCC1COC1(F)CF
InChIInChI=1S/C5H8F2O/c1-4-2-8-5(4,7)3-6/h4H,2-3H2,1H3
InChIKeyXLPGCRRVOZGEPC-UHFFFAOYSA-N
XLogP1.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.11
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(fluoromethyl)-3-methyloxetane?
The IUPAC name of 2-fluoro-2-(fluoromethyl)-3-methyloxetane (CID 58936780) is 2-fluoro-2-(fluoromethyl)-3-methyloxetane.
What is the SMILES notation for 2-fluoro-2-(fluoromethyl)-3-methyloxetane?
The canonical SMILES for 2-fluoro-2-(fluoromethyl)-3-methyloxetane is CC1COC1(F)CF.
What is the InChIKey of 2-fluoro-2-(fluoromethyl)-3-methyloxetane?
The InChIKey is XLPGCRRVOZGEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2O/c1-4-2-8-5(4,7)3-6/h4H,2-3H2,1H3.
What are the key properties of 2-fluoro-2-(fluoromethyl)-3-methyloxetane?
2-fluoro-2-(fluoromethyl)-3-methyloxetane has a molecular weight of 122.11 g/mol, XLogP of 1.29, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(fluoromethyl)-3-methyloxetane is sourced from PubChem (CID 58936780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).