2,2-difluoro-6-azaspiro[3.4]octane;hydrochloride

C7H12ClF2N — CID 146082221

IUPAC2,2-difluoro-6-azaspiro[3.4]octane;hydrochloride
SMILESCl.FC1(F)CC2(CCNC2)C1
InChIInChI=1S/C7H11F2N.ClH/c8-7(9)3-6(4-7)1-2-10-5-6;/h10H,1-5H2;1H
InChIKeyVAUQHXIBZXNWBT-UHFFFAOYSA-N
MW183.63 g/mol
LogP1.82
Rot. Bonds

About 2,2-difluoro-6-azaspiro[3.4]octane;hydrochloride

2,2-difluoro-6-azaspiro[3.4]octane;hydrochloride (PubChem CID 146082221) has the molecular formula C7H12ClF2N and a molecular weight of 183.63 g/mol. Its IUPAC name is 2,2-difluoro-6-azaspiro[3.4]octane;hydrochloride.

Molecular Properties

Compound Name2,2-difluoro-6-azaspiro[3.4]octane;hydrochloride
PubChem CID146082221
Molecular FormulaC7H12ClF2N
Molecular Weight183.63 g/mol
Exact Mass183.06
IUPAC Name2,2-difluoro-6-azaspiro[3.4]octane;hydrochloride
SMILESCl.FC1(F)CC2(CCNC2)C1
InChIInChI=1S/C7H11F2N.ClH/c8-7(9)3-6(4-7)1-2-10-5-6;/h10H,1-5H2;1H
InChIKeyVAUQHXIBZXNWBT-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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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-6-azaspiro[3.4]octane;hydrochloride?
The IUPAC name of 2,2-difluoro-6-azaspiro[3.4]octane;hydrochloride (CID 146082221) is 2,2-difluoro-6-azaspiro[3.4]octane;hydrochloride.
What is the SMILES notation for 2,2-difluoro-6-azaspiro[3.4]octane;hydrochloride?
The canonical SMILES for 2,2-difluoro-6-azaspiro[3.4]octane;hydrochloride is Cl.FC1(F)CC2(CCNC2)C1.
What is the InChIKey of 2,2-difluoro-6-azaspiro[3.4]octane;hydrochloride?
The InChIKey is VAUQHXIBZXNWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N.ClH/c8-7(9)3-6(4-7)1-2-10-5-6;/h10H,1-5H2;1H.
What are the key properties of 2,2-difluoro-6-azaspiro[3.4]octane;hydrochloride?
2,2-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 2,2-difluoro-6-azaspiro[3.4]octane;hydrochloride is sourced from PubChem (CID 146082221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).