4,4-difluoro-3-(propan-2-yloxymethyl)oxane

C9H16F2O2 — CID 169201876

IUPAC4,4-difluoro-3-(propan-2-yloxymethyl)oxane
SMILESCC(C)OCC1COCCC1(F)F
InChIInChI=1S/C9H16F2O2/c1-7(2)13-6-8-5-12-4-3-9(8,10)11/h7-8H,3-6H2,1-2H3
InChIKeySHXLHCTYDIMKHB-UHFFFAOYSA-N
MW194.22 g/mol
LogP2.08
Rot. Bonds3

About 4,4-difluoro-3-(propan-2-yloxymethyl)oxane

4,4-difluoro-3-(propan-2-yloxymethyl)oxane (PubChem CID 169201876) has the molecular formula C9H16F2O2 and a molecular weight of 194.22 g/mol. Its IUPAC name is 4,4-difluoro-3-(propan-2-yloxymethyl)oxane.

Molecular Properties

Compound Name4,4-difluoro-3-(propan-2-yloxymethyl)oxane
PubChem CID169201876
Molecular FormulaC9H16F2O2
Molecular Weight194.22 g/mol
Exact Mass194.11
IUPAC Name4,4-difluoro-3-(propan-2-yloxymethyl)oxane
SMILESCC(C)OCC1COCCC1(F)F
InChIInChI=1S/C9H16F2O2/c1-7(2)13-6-8-5-12-4-3-9(8,10)11/h7-8H,3-6H2,1-2H3
InChIKeySHXLHCTYDIMKHB-UHFFFAOYSA-N
XLogP2.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.22
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-3-(propan-2-yloxymethyl)oxane?
The IUPAC name of 4,4-difluoro-3-(propan-2-yloxymethyl)oxane (CID 169201876) is 4,4-difluoro-3-(propan-2-yloxymethyl)oxane.
What is the SMILES notation for 4,4-difluoro-3-(propan-2-yloxymethyl)oxane?
The canonical SMILES for 4,4-difluoro-3-(propan-2-yloxymethyl)oxane is CC(C)OCC1COCCC1(F)F.
What is the InChIKey of 4,4-difluoro-3-(propan-2-yloxymethyl)oxane?
The InChIKey is SHXLHCTYDIMKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2O2/c1-7(2)13-6-8-5-12-4-3-9(8,10)11/h7-8H,3-6H2,1-2H3.
What are the key properties of 4,4-difluoro-3-(propan-2-yloxymethyl)oxane?
4,4-difluoro-3-(propan-2-yloxymethyl)oxane has a molecular weight of 194.22 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-3-(propan-2-yloxymethyl)oxane is sourced from PubChem (CID 169201876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).