3,3-difluoro-4-propan-2-yloxyoxolane

C7H12F2O2 — CID 170413498

IUPAC3,3-difluoro-4-propan-2-yloxyoxolane
SMILESCC(C)OC1COCC1(F)F
InChIInChI=1S/C7H12F2O2/c1-5(2)11-6-3-10-4-7(6,8)9/h5-6H,3-4H2,1-2H3
InChIKeyJMJLMPWZQBONCM-UHFFFAOYSA-N
MW166.17 g/mol
LogP1.45
Rot. Bonds2

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

3,3-difluoro-4-propan-2-yloxyoxolane (PubChem CID 170413498) has the molecular formula C7H12F2O2 and a molecular weight of 166.17 g/mol. Its IUPAC name is 3,3-difluoro-4-propan-2-yloxyoxolane.

Molecular Properties

Compound Name3,3-difluoro-4-propan-2-yloxyoxolane
PubChem CID170413498
Molecular FormulaC7H12F2O2
Molecular Weight166.17 g/mol
Exact Mass166.08
IUPAC Name3,3-difluoro-4-propan-2-yloxyoxolane
SMILESCC(C)OC1COCC1(F)F
InChIInChI=1S/C7H12F2O2/c1-5(2)11-6-3-10-4-7(6,8)9/h5-6H,3-4H2,1-2H3
InChIKeyJMJLMPWZQBONCM-UHFFFAOYSA-N
XLogP1.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.17
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-4-propan-2-yloxyoxolane?
The IUPAC name of 3,3-difluoro-4-propan-2-yloxyoxolane (CID 170413498) is 3,3-difluoro-4-propan-2-yloxyoxolane.
What is the SMILES notation for 3,3-difluoro-4-propan-2-yloxyoxolane?
The canonical SMILES for 3,3-difluoro-4-propan-2-yloxyoxolane is CC(C)OC1COCC1(F)F.
What is the InChIKey of 3,3-difluoro-4-propan-2-yloxyoxolane?
The InChIKey is JMJLMPWZQBONCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2O2/c1-5(2)11-6-3-10-4-7(6,8)9/h5-6H,3-4H2,1-2H3.
What are the key properties of 3,3-difluoro-4-propan-2-yloxyoxolane?
3,3-difluoro-4-propan-2-yloxyoxolane has a molecular weight of 166.17 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-4-propan-2-yloxyoxolane is sourced from PubChem (CID 170413498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).