3,4-difluoro-8-methyl-1-oxaspiro[4.5]decane

C10H16F2O — CID 167064627

IUPAC3,4-difluoro-8-methyl-1-oxaspiro[4.5]decane
SMILESCC1CCC2(CC1)OCC(F)C2F
InChIInChI=1S/C10H16F2O/c1-7-2-4-10(5-3-7)9(12)8(11)6-13-10/h7-9H,2-6H2,1H3
InChIKeyJQAVMXJVXJZKIW-UHFFFAOYSA-N
MW190.23 g/mol
LogP2.64
Rot. Bonds

About 3,4-difluoro-8-methyl-1-oxaspiro[4.5]decane

3,4-difluoro-8-methyl-1-oxaspiro[4.5]decane (PubChem CID 167064627) has the molecular formula C10H16F2O and a molecular weight of 190.23 g/mol. Its IUPAC name is 3,4-difluoro-8-methyl-1-oxaspiro[4.5]decane.

Molecular Properties

Compound Name3,4-difluoro-8-methyl-1-oxaspiro[4.5]decane
PubChem CID167064627
Molecular FormulaC10H16F2O
Molecular Weight190.23 g/mol
Exact Mass190.12
IUPAC Name3,4-difluoro-8-methyl-1-oxaspiro[4.5]decane
SMILESCC1CCC2(CC1)OCC(F)C2F
InChIInChI=1S/C10H16F2O/c1-7-2-4-10(5-3-7)9(12)8(11)6-13-10/h7-9H,2-6H2,1H3
InChIKeyJQAVMXJVXJZKIW-UHFFFAOYSA-N
XLogP2.64
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 ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-8-methyl-1-oxaspiro[4.5]decane?
The IUPAC name of 3,4-difluoro-8-methyl-1-oxaspiro[4.5]decane (CID 167064627) is 3,4-difluoro-8-methyl-1-oxaspiro[4.5]decane.
What is the SMILES notation for 3,4-difluoro-8-methyl-1-oxaspiro[4.5]decane?
The canonical SMILES for 3,4-difluoro-8-methyl-1-oxaspiro[4.5]decane is CC1CCC2(CC1)OCC(F)C2F.
What is the InChIKey of 3,4-difluoro-8-methyl-1-oxaspiro[4.5]decane?
The InChIKey is JQAVMXJVXJZKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2O/c1-7-2-4-10(5-3-7)9(12)8(11)6-13-10/h7-9H,2-6H2,1H3.
What are the key properties of 3,4-difluoro-8-methyl-1-oxaspiro[4.5]decane?
3,4-difluoro-8-methyl-1-oxaspiro[4.5]decane has a molecular weight of 190.23 g/mol, XLogP of 2.64, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-8-methyl-1-oxaspiro[4.5]decane is sourced from PubChem (CID 167064627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).