4-[difluoro(propoxy)methyl]spiro[5.5]undecane

C15H26F2O — CID 20686703

IUPAC4-[difluoro(propoxy)methyl]spiro[5.5]undecane
SMILESCCCOC(F)(F)C1CCCC2(CCCCC2)C1
InChIInChI=1S/C15H26F2O/c1-2-11-18-15(16,17)13-7-6-10-14(12-13)8-4-3-5-9-14/h13H,2-12H2,1H3
InChIKeyOHPFJXHWLXGPSV-UHFFFAOYSA-N
MW260.37 g/mol
LogP5.15
Rot. Bonds4

About 4-[difluoro(propoxy)methyl]spiro[5.5]undecane

4-[difluoro(propoxy)methyl]spiro[5.5]undecane (PubChem CID 20686703) has the molecular formula C15H26F2O and a molecular weight of 260.37 g/mol. Its IUPAC name is 4-[difluoro(propoxy)methyl]spiro[5.5]undecane.

Molecular Properties

Compound Name4-[difluoro(propoxy)methyl]spiro[5.5]undecane
PubChem CID20686703
Molecular FormulaC15H26F2O
Molecular Weight260.37 g/mol
Exact Mass260.20
IUPAC Name4-[difluoro(propoxy)methyl]spiro[5.5]undecane
SMILESCCCOC(F)(F)C1CCCC2(CCCCC2)C1
InChIInChI=1S/C15H26F2O/c1-2-11-18-15(16,17)13-7-6-10-14(12-13)8-4-3-5-9-14/h13H,2-12H2,1H3
InChIKeyOHPFJXHWLXGPSV-UHFFFAOYSA-N
XLogP5.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.37
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[difluoro(propoxy)methyl]spiro[5.5]undecane?
The IUPAC name of 4-[difluoro(propoxy)methyl]spiro[5.5]undecane (CID 20686703) is 4-[difluoro(propoxy)methyl]spiro[5.5]undecane.
What is the SMILES notation for 4-[difluoro(propoxy)methyl]spiro[5.5]undecane?
The canonical SMILES for 4-[difluoro(propoxy)methyl]spiro[5.5]undecane is CCCOC(F)(F)C1CCCC2(CCCCC2)C1.
What is the InChIKey of 4-[difluoro(propoxy)methyl]spiro[5.5]undecane?
The InChIKey is OHPFJXHWLXGPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F2O/c1-2-11-18-15(16,17)13-7-6-10-14(12-13)8-4-3-5-9-14/h13H,2-12H2,1H3.
What are the key properties of 4-[difluoro(propoxy)methyl]spiro[5.5]undecane?
4-[difluoro(propoxy)methyl]spiro[5.5]undecane has a molecular weight of 260.37 g/mol, XLogP of 5.15, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[difluoro(propoxy)methyl]spiro[5.5]undecane is sourced from PubChem (CID 20686703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).