4,4-difluoro-9-methyl-6-oxaspiro[4.5]decane

C10H16F2O — CID 168891859

IUPAC4,4-difluoro-9-methyl-6-oxaspiro[4.5]decane
SMILESCC1CCOC2(CCCC2(F)F)C1
InChIInChI=1S/C10H16F2O/c1-8-3-6-13-9(7-8)4-2-5-10(9,11)12/h8H,2-7H2,1H3
InChIKeyKMLWRIZDPHJIFL-UHFFFAOYSA-N
MW190.23 g/mol
LogP2.99
Rot. Bonds

About 4,4-difluoro-9-methyl-6-oxaspiro[4.5]decane

4,4-difluoro-9-methyl-6-oxaspiro[4.5]decane (PubChem CID 168891859) has the molecular formula C10H16F2O and a molecular weight of 190.23 g/mol. Its IUPAC name is 4,4-difluoro-9-methyl-6-oxaspiro[4.5]decane.

Molecular Properties

Compound Name4,4-difluoro-9-methyl-6-oxaspiro[4.5]decane
PubChem CID168891859
Molecular FormulaC10H16F2O
Molecular Weight190.23 g/mol
Exact Mass190.12
IUPAC Name4,4-difluoro-9-methyl-6-oxaspiro[4.5]decane
SMILESCC1CCOC2(CCCC2(F)F)C1
InChIInChI=1S/C10H16F2O/c1-8-3-6-13-9(7-8)4-2-5-10(9,11)12/h8H,2-7H2,1H3
InChIKeyKMLWRIZDPHJIFL-UHFFFAOYSA-N
XLogP2.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.23
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-9-methyl-6-oxaspiro[4.5]decane?
The IUPAC name of 4,4-difluoro-9-methyl-6-oxaspiro[4.5]decane (CID 168891859) is 4,4-difluoro-9-methyl-6-oxaspiro[4.5]decane.
What is the SMILES notation for 4,4-difluoro-9-methyl-6-oxaspiro[4.5]decane?
The canonical SMILES for 4,4-difluoro-9-methyl-6-oxaspiro[4.5]decane is CC1CCOC2(CCCC2(F)F)C1.
What is the InChIKey of 4,4-difluoro-9-methyl-6-oxaspiro[4.5]decane?
The InChIKey is KMLWRIZDPHJIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2O/c1-8-3-6-13-9(7-8)4-2-5-10(9,11)12/h8H,2-7H2,1H3.
What are the key properties of 4,4-difluoro-9-methyl-6-oxaspiro[4.5]decane?
4,4-difluoro-9-methyl-6-oxaspiro[4.5]decane has a molecular weight of 190.23 g/mol, XLogP of 2.99, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-9-methyl-6-oxaspiro[4.5]decane is sourced from PubChem (CID 168891859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).