3-(difluoromethyl)-3-propan-2-yloxetane

C7H12F2O — CID 166573211

IUPAC3-(difluoromethyl)-3-propan-2-yloxetane
SMILESCC(C)C1(C(F)F)COC1
InChIInChI=1S/C7H12F2O/c1-5(2)7(6(8)9)3-10-4-7/h5-6H,3-4H2,1-2H3
InChIKeyKUMPLYIPJDOKQU-UHFFFAOYSA-N
MW150.17 g/mol
LogP1.92
Rot. Bonds2

About 3-(difluoromethyl)-3-propan-2-yloxetane

3-(difluoromethyl)-3-propan-2-yloxetane (PubChem CID 166573211) has the molecular formula C7H12F2O and a molecular weight of 150.17 g/mol. Its IUPAC name is 3-(difluoromethyl)-3-propan-2-yloxetane.

Molecular Properties

Compound Name3-(difluoromethyl)-3-propan-2-yloxetane
PubChem CID166573211
Molecular FormulaC7H12F2O
Molecular Weight150.17 g/mol
Exact Mass150.09
IUPAC Name3-(difluoromethyl)-3-propan-2-yloxetane
SMILESCC(C)C1(C(F)F)COC1
InChIInChI=1S/C7H12F2O/c1-5(2)7(6(8)9)3-10-4-7/h5-6H,3-4H2,1-2H3
InChIKeyKUMPLYIPJDOKQU-UHFFFAOYSA-N
XLogP1.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.17
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-3-propan-2-yloxetane?
The IUPAC name of 3-(difluoromethyl)-3-propan-2-yloxetane (CID 166573211) is 3-(difluoromethyl)-3-propan-2-yloxetane.
What is the SMILES notation for 3-(difluoromethyl)-3-propan-2-yloxetane?
The canonical SMILES for 3-(difluoromethyl)-3-propan-2-yloxetane is CC(C)C1(C(F)F)COC1.
What is the InChIKey of 3-(difluoromethyl)-3-propan-2-yloxetane?
The InChIKey is KUMPLYIPJDOKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2O/c1-5(2)7(6(8)9)3-10-4-7/h5-6H,3-4H2,1-2H3.
What are the key properties of 3-(difluoromethyl)-3-propan-2-yloxetane?
3-(difluoromethyl)-3-propan-2-yloxetane has a molecular weight of 150.17 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-3-propan-2-yloxetane is sourced from PubChem (CID 166573211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).