3-(difluoromethoxy)-3-propan-2-yloxolane

C8H14F2O2 — CID 170577643

IUPAC3-(difluoromethoxy)-3-propan-2-yloxolane
SMILESCC(C)C1(OC(F)F)CCOC1
InChIInChI=1S/C8H14F2O2/c1-6(2)8(12-7(9)10)3-4-11-5-8/h6-7H,3-5H2,1-2H3
InChIKeyBDMBVGXJAXQOEL-UHFFFAOYSA-N
MW180.19 g/mol
LogP2.04
Rot. Bonds3

About 3-(difluoromethoxy)-3-propan-2-yloxolane

3-(difluoromethoxy)-3-propan-2-yloxolane (PubChem CID 170577643) has the molecular formula C8H14F2O2 and a molecular weight of 180.19 g/mol. Its IUPAC name is 3-(difluoromethoxy)-3-propan-2-yloxolane.

Molecular Properties

Compound Name3-(difluoromethoxy)-3-propan-2-yloxolane
PubChem CID170577643
Molecular FormulaC8H14F2O2
Molecular Weight180.19 g/mol
Exact Mass180.10
IUPAC Name3-(difluoromethoxy)-3-propan-2-yloxolane
SMILESCC(C)C1(OC(F)F)CCOC1
InChIInChI=1S/C8H14F2O2/c1-6(2)8(12-7(9)10)3-4-11-5-8/h6-7H,3-5H2,1-2H3
InChIKeyBDMBVGXJAXQOEL-UHFFFAOYSA-N
XLogP2.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.19
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-3-propan-2-yloxolane?
The IUPAC name of 3-(difluoromethoxy)-3-propan-2-yloxolane (CID 170577643) is 3-(difluoromethoxy)-3-propan-2-yloxolane.
What is the SMILES notation for 3-(difluoromethoxy)-3-propan-2-yloxolane?
The canonical SMILES for 3-(difluoromethoxy)-3-propan-2-yloxolane is CC(C)C1(OC(F)F)CCOC1.
What is the InChIKey of 3-(difluoromethoxy)-3-propan-2-yloxolane?
The InChIKey is BDMBVGXJAXQOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2O2/c1-6(2)8(12-7(9)10)3-4-11-5-8/h6-7H,3-5H2,1-2H3.
What are the key properties of 3-(difluoromethoxy)-3-propan-2-yloxolane?
3-(difluoromethoxy)-3-propan-2-yloxolane has a molecular weight of 180.19 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-3-propan-2-yloxolane is sourced from PubChem (CID 170577643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).