2,2-difluoro-5-azaspiro[3.4]octane;hydrochloride

C7H12ClF2N — CID 167728068

IUPAC2,2-difluoro-5-azaspiro[3.4]octane;hydrochloride
SMILESCl.FC1(F)CC2(CCCN2)C1
InChIInChI=1S/C7H11F2N.ClH/c8-7(9)4-6(5-7)2-1-3-10-6;/h10H,1-5H2;1H
InChIKeyMHCAQJKDESAPBB-UHFFFAOYSA-N
MW183.63 g/mol
LogP1.96
Rot. Bonds

About 2,2-difluoro-5-azaspiro[3.4]octane;hydrochloride

2,2-difluoro-5-azaspiro[3.4]octane;hydrochloride (PubChem CID 167728068) has the molecular formula C7H12ClF2N and a molecular weight of 183.63 g/mol. Its IUPAC name is 2,2-difluoro-5-azaspiro[3.4]octane;hydrochloride.

Molecular Properties

Compound Name2,2-difluoro-5-azaspiro[3.4]octane;hydrochloride
PubChem CID167728068
Molecular FormulaC7H12ClF2N
Molecular Weight183.63 g/mol
Exact Mass183.06
IUPAC Name2,2-difluoro-5-azaspiro[3.4]octane;hydrochloride
SMILESCl.FC1(F)CC2(CCCN2)C1
InChIInChI=1S/C7H11F2N.ClH/c8-7(9)4-6(5-7)2-1-3-10-6;/h10H,1-5H2;1H
InChIKeyMHCAQJKDESAPBB-UHFFFAOYSA-N
XLogP1.96
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 ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-difluoro-5-azaspiro[3.5]nonane
CID 155892857
1,8-diazaspiro[4.5]decane;dihydrochloride
CID 50999337
1-azaspiro[4.5]decane
CID 9092
1,8-diazaspiro[4.5]decane;2-methylpropane
CID 143568264
2-oxa-5-azaspiro[3.4]octane;hydrochloride
CID 163197887
8-thia-1-azaspiro[4.5]decane;hydrochloride
CID 115019694
4-azaspiro[2.5]octane
CID 20522183
2-oxa-5-azaspiro[3.4]octane
CID 54759126
ethane;8-methyl-1,8-diazaspiro[4.5]decane
CID 144717621
8,8-difluoro-2-oxa-5-azaspiro[3.5]nonane
CID 155893439
2,2-difluoro-6-azaspiro[3.5]nonane;hydrochloride
CID 163197098
9-thia-1-azaspiro[4.5]decane;hydrochloride
CID 126844154

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-5-azaspiro[3.4]octane;hydrochloride?
The IUPAC name of 2,2-difluoro-5-azaspiro[3.4]octane;hydrochloride (CID 167728068) is 2,2-difluoro-5-azaspiro[3.4]octane;hydrochloride.
What is the SMILES notation for 2,2-difluoro-5-azaspiro[3.4]octane;hydrochloride?
The canonical SMILES for 2,2-difluoro-5-azaspiro[3.4]octane;hydrochloride is Cl.FC1(F)CC2(CCCN2)C1.
What is the InChIKey of 2,2-difluoro-5-azaspiro[3.4]octane;hydrochloride?
The InChIKey is MHCAQJKDESAPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N.ClH/c8-7(9)4-6(5-7)2-1-3-10-6;/h10H,1-5H2;1H.
What are the key properties of 2,2-difluoro-5-azaspiro[3.4]octane;hydrochloride?
2,2-difluoro-5-azaspiro[3.4]octane;hydrochloride has a molecular weight of 183.63 g/mol, XLogP of 1.96, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-5-azaspiro[3.4]octane;hydrochloride is sourced from PubChem (CID 167728068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).