2,2-difluoro-1-propan-2-ylspiro[2.3]hexane

C9H14F2 — CID 166825430

IUPAC2,2-difluoro-1-propan-2-ylspiro[2.3]hexane
SMILESCC(C)C1C(F)(F)C12CCC2
InChIInChI=1S/C9H14F2/c1-6(2)7-8(4-3-5-8)9(7,10)11/h6-7H,3-5H2,1-2H3
InChIKeyOBUFKOABXSHYKN-UHFFFAOYSA-N
MW160.21 g/mol
LogP3.08
Rot. Bonds1

About 2,2-difluoro-1-propan-2-ylspiro[2.3]hexane

2,2-difluoro-1-propan-2-ylspiro[2.3]hexane (PubChem CID 166825430) has the molecular formula C9H14F2 and a molecular weight of 160.21 g/mol. Its IUPAC name is 2,2-difluoro-1-propan-2-ylspiro[2.3]hexane.

Molecular Properties

Compound Name2,2-difluoro-1-propan-2-ylspiro[2.3]hexane
PubChem CID166825430
Molecular FormulaC9H14F2
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name2,2-difluoro-1-propan-2-ylspiro[2.3]hexane
SMILESCC(C)C1C(F)(F)C12CCC2
InChIInChI=1S/C9H14F2/c1-6(2)7-8(4-3-5-8)9(7,10)11/h6-7H,3-5H2,1-2H3
InChIKeyOBUFKOABXSHYKN-UHFFFAOYSA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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3,3-difluorospiro[3.3]heptan-1-amine;hydrochloride
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9-propan-2-ylspiro[3.5]nonane
CID 140652255
2,2-difluoro-6-propan-2-ylspiro[2.5]octane
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CID 155822084
1,5-di(propan-2-yl)bicyclo[3.3.3]undecane
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3a,6a-difluoro-1,2,3,4,5,6-hexahydropentalene
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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-propan-2-ylspiro[2.3]hexane?
The IUPAC name of 2,2-difluoro-1-propan-2-ylspiro[2.3]hexane (CID 166825430) is 2,2-difluoro-1-propan-2-ylspiro[2.3]hexane.
What is the SMILES notation for 2,2-difluoro-1-propan-2-ylspiro[2.3]hexane?
The canonical SMILES for 2,2-difluoro-1-propan-2-ylspiro[2.3]hexane is CC(C)C1C(F)(F)C12CCC2.
What is the InChIKey of 2,2-difluoro-1-propan-2-ylspiro[2.3]hexane?
The InChIKey is OBUFKOABXSHYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2/c1-6(2)7-8(4-3-5-8)9(7,10)11/h6-7H,3-5H2,1-2H3.
What are the key properties of 2,2-difluoro-1-propan-2-ylspiro[2.3]hexane?
2,2-difluoro-1-propan-2-ylspiro[2.3]hexane has a molecular weight of 160.21 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-propan-2-ylspiro[2.3]hexane is sourced from PubChem (CID 166825430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).