2,2-difluoro-6-azoniaspiro[2.5]octane

C7H12F2N+ — CID 178167329

IUPAC2,2-difluoro-6-azoniaspiro[2.5]octane
SMILESFC1(F)CC12CC[NH2+]CC2
InChIInChI=1S/C7H11F2N/c8-7(9)5-6(7)1-3-10-4-2-6/h10H,1-5H2/p+1
InChIKeyNESANIIIIJLTDB-UHFFFAOYSA-O
MW148.18 g/mol
LogP0.37
Rot. Bonds

About 2,2-difluoro-6-azoniaspiro[2.5]octane

2,2-difluoro-6-azoniaspiro[2.5]octane (PubChem CID 178167329) has the molecular formula C7H12F2N+ and a molecular weight of 148.18 g/mol. Its IUPAC name is 2,2-difluoro-6-azoniaspiro[2.5]octane.

Molecular Properties

Compound Name2,2-difluoro-6-azoniaspiro[2.5]octane
PubChem CID178167329
Molecular FormulaC7H12F2N+
Molecular Weight148.18 g/mol
Exact Mass148.09
IUPAC Name2,2-difluoro-6-azoniaspiro[2.5]octane
SMILESFC1(F)CC12CC[NH2+]CC2
InChIInChI=1S/C7H11F2N/c8-7(9)5-6(7)1-3-10-4-2-6/h10H,1-5H2/p+1
InChIKeyNESANIIIIJLTDB-UHFFFAOYSA-O
XLogP0.37
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.18
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

2,2-difluorospiro[2.5]octan-6-amine;hydrochloride
CID 121209137
2,2-difluoro-6-propan-2-ylspiro[2.5]octane
CID 169067796
piperidin-1-ium-4,4-diol
CID 6931244
2,2-difluorospiro[2.3]hexane-5-thiol
CID 167302042
2,2-difluoro-6-methyl-5-azaspiro[2.6]nonane
CID 170772056
2,2-difluoro-5-methyl-5-azaspiro[2.3]hexane
CID 129180153
2-(2,2-difluorospiro[2.5]octan-6-yl)acetic acid
CID 105455969
2-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-2-methylpropanal
CID 164644526
1-(2,2-difluorospiro[2.5]octan-6-yl)propan-1-one
CID 130457436
1-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-2,2-dimethylpropan-1-one
CID 126750228
1,1-dichloro-2,2-difluorocyclopropane
CID 12637093
1,4,7,10-tetrazoniacyclododecane tetrachloride
CID 11088422

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-6-azoniaspiro[2.5]octane?
The IUPAC name of 2,2-difluoro-6-azoniaspiro[2.5]octane (CID 178167329) is 2,2-difluoro-6-azoniaspiro[2.5]octane.
What is the SMILES notation for 2,2-difluoro-6-azoniaspiro[2.5]octane?
The canonical SMILES for 2,2-difluoro-6-azoniaspiro[2.5]octane is FC1(F)CC12CC[NH2+]CC2.
What is the InChIKey of 2,2-difluoro-6-azoniaspiro[2.5]octane?
The InChIKey is NESANIIIIJLTDB-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H11F2N/c8-7(9)5-6(7)1-3-10-4-2-6/h10H,1-5H2/p+1.
What are the key properties of 2,2-difluoro-6-azoniaspiro[2.5]octane?
2,2-difluoro-6-azoniaspiro[2.5]octane has a molecular weight of 148.18 g/mol, XLogP of 0.37, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-6-azoniaspiro[2.5]octane is sourced from PubChem (CID 178167329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).