2,2-difluoro-6-azaspiro[2.5]octane;hydrochloride

C7H12ClF2N — CID 67608291

IUPAC2,2-difluoro-6-azaspiro[2.5]octane;hydrochloride
SMILESCl.FC1(F)CC12CCNCC2
InChIInChI=1S/C7H11F2N.ClH/c8-7(9)5-6(7)1-3-10-4-2-6;/h10H,1-5H2;1H
InChIKeyDSSQFTMDMCAWBG-UHFFFAOYSA-N
MW183.63 g/mol
LogP1.82
Rot. Bonds

About 2,2-difluoro-6-azaspiro[2.5]octane;hydrochloride

2,2-difluoro-6-azaspiro[2.5]octane;hydrochloride (PubChem CID 67608291) has the molecular formula C7H12ClF2N and a molecular weight of 183.63 g/mol. Its IUPAC name is 2,2-difluoro-6-azaspiro[2.5]octane;hydrochloride.

Molecular Properties

Compound Name2,2-difluoro-6-azaspiro[2.5]octane;hydrochloride
PubChem CID67608291
Molecular FormulaC7H12ClF2N
Molecular Weight183.63 g/mol
Exact Mass183.06
IUPAC Name2,2-difluoro-6-azaspiro[2.5]octane;hydrochloride
SMILESCl.FC1(F)CC12CCNCC2
InChIInChI=1S/C7H11F2N.ClH/c8-7(9)5-6(7)1-3-10-4-2-6;/h10H,1-5H2;1H
InChIKeyDSSQFTMDMCAWBG-UHFFFAOYSA-N
XLogP1.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.63
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(Trifluoromethyl)piperidine
CID 136469
4-(Trifluoromethyl)piperidine hydrochloride
CID 16218160
4,4-Bis(trifluoromethyl)piperidine--water (1/1)
CID 114369
6-Azaspiro[2.5]octane
CID 22417173
1,1-Difluoro-5-azaspiro(2.4)heptane hydrochloride
CID 45158910
(1R,5S,6S)-6-(trifluoromethyl)-3-azabicyclo(3.1.0)hexane hydrochloride
CID 45792565
4-(Difluoromethyl)piperidine hydrochloride
CID 53346560
6-Azaspiro(2.5)octane hydrochloride
CID 54593187
4-(2,2-Difluoroethyl)piperidine hydrochloride
CID 70086459
4-(2,2,2-Trifluoroethyl)piperidine hydrochloride
CID 71755865
5-Azaspiro[2.5]octane hydrochloride
CID 75420329
4-(1,1-Difluoroethyl)piperidine hydrochloride
CID 84718975

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-6-azaspiro[2.5]octane;hydrochloride?
The IUPAC name of 2,2-difluoro-6-azaspiro[2.5]octane;hydrochloride (CID 67608291) is 2,2-difluoro-6-azaspiro[2.5]octane;hydrochloride.
What is the SMILES notation for 2,2-difluoro-6-azaspiro[2.5]octane;hydrochloride?
The canonical SMILES for 2,2-difluoro-6-azaspiro[2.5]octane;hydrochloride is Cl.FC1(F)CC12CCNCC2.
What is the InChIKey of 2,2-difluoro-6-azaspiro[2.5]octane;hydrochloride?
The InChIKey is DSSQFTMDMCAWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N.ClH/c8-7(9)5-6(7)1-3-10-4-2-6;/h10H,1-5H2;1H.
What are the key properties of 2,2-difluoro-6-azaspiro[2.5]octane;hydrochloride?
2,2-difluoro-6-azaspiro[2.5]octane;hydrochloride has a molecular weight of 183.63 g/mol, XLogP of 1.82, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-6-azaspiro[2.5]octane;hydrochloride is sourced from PubChem (CID 67608291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).