3-(1,1-difluoropropyl)oxetane

C6H10F2O — CID 142492886

IUPAC3-(1,1-difluoropropyl)oxetane
SMILESCCC(F)(F)C1COC1
InChIInChI=1S/C6H10F2O/c1-2-6(7,8)5-3-9-4-5/h5H,2-4H2,1H3
InChIKeyZFFRRSTYBPYMRS-UHFFFAOYSA-N
MW136.14 g/mol
LogP1.68
Rot. Bonds2

About 3-(1,1-difluoropropyl)oxetane

3-(1,1-difluoropropyl)oxetane (PubChem CID 142492886) has the molecular formula C6H10F2O and a molecular weight of 136.14 g/mol. Its IUPAC name is 3-(1,1-difluoropropyl)oxetane.

Molecular Properties

Compound Name3-(1,1-difluoropropyl)oxetane
PubChem CID142492886
Molecular FormulaC6H10F2O
Molecular Weight136.14 g/mol
Exact Mass136.07
IUPAC Name3-(1,1-difluoropropyl)oxetane
SMILESCCC(F)(F)C1COC1
InChIInChI=1S/C6H10F2O/c1-2-6(7,8)5-3-9-4-5/h5H,2-4H2,1H3
InChIKeyZFFRRSTYBPYMRS-UHFFFAOYSA-N
XLogP1.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.14
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoropropyl)oxetane?
The IUPAC name of 3-(1,1-difluoropropyl)oxetane (CID 142492886) is 3-(1,1-difluoropropyl)oxetane.
What is the SMILES notation for 3-(1,1-difluoropropyl)oxetane?
The canonical SMILES for 3-(1,1-difluoropropyl)oxetane is CCC(F)(F)C1COC1.
What is the InChIKey of 3-(1,1-difluoropropyl)oxetane?
The InChIKey is ZFFRRSTYBPYMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2O/c1-2-6(7,8)5-3-9-4-5/h5H,2-4H2,1H3.
What are the key properties of 3-(1,1-difluoropropyl)oxetane?
3-(1,1-difluoropropyl)oxetane has a molecular weight of 136.14 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoropropyl)oxetane is sourced from PubChem (CID 142492886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).