2,2-difluoro-5,7,7-trimethylspiro[2.5]octane

C11H18F2 — CID 20692081

IUPAC2,2-difluoro-5,7,7-trimethylspiro[2.5]octane
SMILESCC1CC(C)(C)CC2(C1)CC2(F)F
InChIInChI=1S/C11H18F2/c1-8-4-9(2,3)6-10(5-8)7-11(10,12)13/h8H,4-7H2,1-3H3
InChIKeyYPABCBBJGQEILC-UHFFFAOYSA-N
MW188.26 g/mol
LogP3.86
Rot. Bonds

About 2,2-difluoro-5,7,7-trimethylspiro[2.5]octane

2,2-difluoro-5,7,7-trimethylspiro[2.5]octane (PubChem CID 20692081) has the molecular formula C11H18F2 and a molecular weight of 188.26 g/mol. Its IUPAC name is 2,2-difluoro-5,7,7-trimethylspiro[2.5]octane.

Molecular Properties

Compound Name2,2-difluoro-5,7,7-trimethylspiro[2.5]octane
PubChem CID20692081
Molecular FormulaC11H18F2
Molecular Weight188.26 g/mol
Exact Mass188.14
IUPAC Name2,2-difluoro-5,7,7-trimethylspiro[2.5]octane
SMILESCC1CC(C)(C)CC2(C1)CC2(F)F
InChIInChI=1S/C11H18F2/c1-8-4-9(2,3)6-10(5-8)7-11(10,12)13/h8H,4-7H2,1-3H3
InChIKeyYPABCBBJGQEILC-UHFFFAOYSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
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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Related Compounds

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CID 640499
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1,1-Difluorospiro[2.5]octane
CID 21731307
1,1-Difluoro-2,3,3-trimethylcyclohexane
CID 134969874
7-Methylspiro[2.5]octane
CID 21021869
3-(1,1-Difluoroethyl)-2,2,4-trifluoro-1,5-dimethyl-1-(trifluoromethyl)cyclohexane
CID 20770039
4-Tert-butyl-1,1-difluoro-3-methylcyclohexane
CID 21027513
1-Tert-butyl-2-methyl-4-(trifluoromethyl)cyclohexane
CID 21027519
6-Ethyl-1,1,3-trifluoro-2-methyl-4-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]cyclohexane
CID 21039871
1,1-Difluoro-4,4-di(propan-2-yl)cyclohexane
CID 21068515
(1,1,1-Trifluoro-2-methylpropan-2-yl)cyclohexane
CID 22321171
1alpha-tert-Butyl-4alpha-(trifluoromethyl)cyclohexane
CID 23233590

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-5,7,7-trimethylspiro[2.5]octane?
The IUPAC name of 2,2-difluoro-5,7,7-trimethylspiro[2.5]octane (CID 20692081) is 2,2-difluoro-5,7,7-trimethylspiro[2.5]octane.
What is the SMILES notation for 2,2-difluoro-5,7,7-trimethylspiro[2.5]octane?
The canonical SMILES for 2,2-difluoro-5,7,7-trimethylspiro[2.5]octane is CC1CC(C)(C)CC2(C1)CC2(F)F.
What is the InChIKey of 2,2-difluoro-5,7,7-trimethylspiro[2.5]octane?
The InChIKey is YPABCBBJGQEILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2/c1-8-4-9(2,3)6-10(5-8)7-11(10,12)13/h8H,4-7H2,1-3H3.
What are the key properties of 2,2-difluoro-5,7,7-trimethylspiro[2.5]octane?
2,2-difluoro-5,7,7-trimethylspiro[2.5]octane has a molecular weight of 188.26 g/mol, XLogP of 3.86, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-5,7,7-trimethylspiro[2.5]octane is sourced from PubChem (CID 20692081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).