3,3-difluoro-4-propan-2-yloxolane

C7H12F2O — CID 138617792

IUPAC3,3-difluoro-4-propan-2-yloxolane
SMILESCC(C)C1COCC1(F)F
InChIInChI=1S/C7H12F2O/c1-5(2)6-3-10-4-7(6,8)9/h5-6H,3-4H2,1-2H3
InChIKeyBUZYUWFRQANAHZ-UHFFFAOYSA-N
MW150.17 g/mol
LogP1.92
Rot. Bonds1

About 3,3-difluoro-4-propan-2-yloxolane

3,3-difluoro-4-propan-2-yloxolane (PubChem CID 138617792) has the molecular formula C7H12F2O and a molecular weight of 150.17 g/mol. Its IUPAC name is 3,3-difluoro-4-propan-2-yloxolane.

Molecular Properties

Compound Name3,3-difluoro-4-propan-2-yloxolane
PubChem CID138617792
Molecular FormulaC7H12F2O
Molecular Weight150.17 g/mol
Exact Mass150.09
IUPAC Name3,3-difluoro-4-propan-2-yloxolane
SMILESCC(C)C1COCC1(F)F
InChIInChI=1S/C7H12F2O/c1-5(2)6-3-10-4-7(6,8)9/h5-6H,3-4H2,1-2H3
InChIKeyBUZYUWFRQANAHZ-UHFFFAOYSA-N
XLogP1.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
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 3,3-difluoro-4-propan-2-yloxolane?
The IUPAC name of 3,3-difluoro-4-propan-2-yloxolane (CID 138617792) is 3,3-difluoro-4-propan-2-yloxolane.
What is the SMILES notation for 3,3-difluoro-4-propan-2-yloxolane?
The canonical SMILES for 3,3-difluoro-4-propan-2-yloxolane is CC(C)C1COCC1(F)F.
What is the InChIKey of 3,3-difluoro-4-propan-2-yloxolane?
The InChIKey is BUZYUWFRQANAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2O/c1-5(2)6-3-10-4-7(6,8)9/h5-6H,3-4H2,1-2H3.
What are the key properties of 3,3-difluoro-4-propan-2-yloxolane?
3,3-difluoro-4-propan-2-yloxolane has a molecular weight of 150.17 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-4-propan-2-yloxolane is sourced from PubChem (CID 138617792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).