2,2-difluoro-6-propan-2-ylspiro[2.5]octane

C11H18F2 — CID 169067796

IUPAC2,2-difluoro-6-propan-2-ylspiro[2.5]octane
SMILESCC(C)C1CCC2(CC1)CC2(F)F
InChIInChI=1S/C11H18F2/c1-8(2)9-3-5-10(6-4-9)7-11(10,12)13/h8-9H,3-7H2,1-2H3
InChIKeyROGASKBUVAAUHW-UHFFFAOYSA-N
MW188.26 g/mol
LogP3.86
Rot. Bonds1

About 2,2-difluoro-6-propan-2-ylspiro[2.5]octane

2,2-difluoro-6-propan-2-ylspiro[2.5]octane (PubChem CID 169067796) has the molecular formula C11H18F2 and a molecular weight of 188.26 g/mol. Its IUPAC name is 2,2-difluoro-6-propan-2-ylspiro[2.5]octane.

Molecular Properties

Compound Name2,2-difluoro-6-propan-2-ylspiro[2.5]octane
PubChem CID169067796
Molecular FormulaC11H18F2
Molecular Weight188.26 g/mol
Exact Mass188.14
IUPAC Name2,2-difluoro-6-propan-2-ylspiro[2.5]octane
SMILESCC(C)C1CCC2(CC1)CC2(F)F
InChIInChI=1S/C11H18F2/c1-8(2)9-3-5-10(6-4-9)7-11(10,12)13/h8-9H,3-7H2,1-2H3
InChIKeyROGASKBUVAAUHW-UHFFFAOYSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.26
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-6-propan-2-ylspiro[2.5]octane?
The IUPAC name of 2,2-difluoro-6-propan-2-ylspiro[2.5]octane (CID 169067796) is 2,2-difluoro-6-propan-2-ylspiro[2.5]octane.
What is the SMILES notation for 2,2-difluoro-6-propan-2-ylspiro[2.5]octane?
The canonical SMILES for 2,2-difluoro-6-propan-2-ylspiro[2.5]octane is CC(C)C1CCC2(CC1)CC2(F)F.
What is the InChIKey of 2,2-difluoro-6-propan-2-ylspiro[2.5]octane?
The InChIKey is ROGASKBUVAAUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2/c1-8(2)9-3-5-10(6-4-9)7-11(10,12)13/h8-9H,3-7H2,1-2H3.
What are the key properties of 2,2-difluoro-6-propan-2-ylspiro[2.5]octane?
2,2-difluoro-6-propan-2-ylspiro[2.5]octane has a molecular weight of 188.26 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-6-propan-2-ylspiro[2.5]octane is sourced from PubChem (CID 169067796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).