8,8-difluoro-6-azaspiro[3.4]octane;hydrochloride

C7H12ClF2N — CID 155289930

IUPAC8,8-difluoro-6-azaspiro[3.4]octane;hydrochloride
SMILESCl.FC1(F)CNCC12CCC2
InChIInChI=1S/C7H11F2N.ClH/c8-7(9)5-10-4-6(7)2-1-3-6;/h10H,1-5H2;1H
InChIKeyYIRFQGFBTGNGJO-UHFFFAOYSA-N
MW183.63 g/mol
LogP1.82
Rot. Bonds

About 8,8-difluoro-6-azaspiro[3.4]octane;hydrochloride

8,8-difluoro-6-azaspiro[3.4]octane;hydrochloride (PubChem CID 155289930) has the molecular formula C7H12ClF2N and a molecular weight of 183.63 g/mol. Its IUPAC name is 8,8-difluoro-6-azaspiro[3.4]octane;hydrochloride.

Molecular Properties

Compound Name8,8-difluoro-6-azaspiro[3.4]octane;hydrochloride
PubChem CID155289930
Molecular FormulaC7H12ClF2N
Molecular Weight183.63 g/mol
Exact Mass183.06
IUPAC Name8,8-difluoro-6-azaspiro[3.4]octane;hydrochloride
SMILESCl.FC1(F)CNCC12CCC2
InChIInChI=1S/C7H11F2N.ClH/c8-7(9)5-10-4-6(7)2-1-3-6;/h10H,1-5H2;1H
InChIKeyYIRFQGFBTGNGJO-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

6-Aza-spiro[3.4]octane
CID 20521843
6-Azaspiro[3.4]octane hydrochloride
CID 71743979
4,4-Difluoro-2-azaspiro(4.4)nonane hydrochloride
CID 105451193
2,2-Difluoro-6-azaspiro(3.4)octane;hydrochloride
CID 146082221
7,7-Difluoro-5-azaspiro(2.4)heptane hydrochloride
CID 154828534
7-(Trifluoromethyl)-6-azaspiro[3.4]octane hydrochloride
CID 137990914
2-Fluoro-6-azaspiro(3.4)octane hydrochloride
CID 138106139
8-(Difluoromethyl)-6-azaspiro[3.4]octane
CID 146155401
8-(Trifluoromethyl)-6-azaspiro(3.4)octane hydrochloride
CID 165767739
(7S)-2,2-difluoro-7-methyl-6-azaspiro(3.4)octane hydrochloride
CID 165885107
(7R)-2,2-difluoro-7-methyl-6-azaspiro[3.4]octane hydrochloride
CID 167736101
2,2-Difluoro-7-methyl-6-azaspiro[3.4]octane
CID 123541027

Frequently Asked Questions

What is the IUPAC name of 8,8-difluoro-6-azaspiro[3.4]octane;hydrochloride?
The IUPAC name of 8,8-difluoro-6-azaspiro[3.4]octane;hydrochloride (CID 155289930) is 8,8-difluoro-6-azaspiro[3.4]octane;hydrochloride.
What is the SMILES notation for 8,8-difluoro-6-azaspiro[3.4]octane;hydrochloride?
The canonical SMILES for 8,8-difluoro-6-azaspiro[3.4]octane;hydrochloride is Cl.FC1(F)CNCC12CCC2.
What is the InChIKey of 8,8-difluoro-6-azaspiro[3.4]octane;hydrochloride?
The InChIKey is YIRFQGFBTGNGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N.ClH/c8-7(9)5-10-4-6(7)2-1-3-6;/h10H,1-5H2;1H.
What are the key properties of 8,8-difluoro-6-azaspiro[3.4]octane;hydrochloride?
8,8-difluoro-6-azaspiro[3.4]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 8,8-difluoro-6-azaspiro[3.4]octane;hydrochloride is sourced from PubChem (CID 155289930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).