6,6-difluorospiro[2.5]octan-2-amine;hydrochloride

C8H14ClF2N — CID 86276611

IUPAC6,6-difluorospiro[2.5]octan-2-amine;hydrochloride
SMILESCl.NC1CC12CCC(F)(F)CC2
InChIInChI=1S/C8H13F2N.ClH/c9-8(10)3-1-7(2-4-8)5-6(7)11;/h6H,1-5,11H2;1H
InChIKeyJVOLMVVFOOGYNW-UHFFFAOYSA-N
MW197.66 g/mol
LogP2.33
Rot. Bonds

About 6,6-difluorospiro[2.5]octan-2-amine;hydrochloride

6,6-difluorospiro[2.5]octan-2-amine;hydrochloride (PubChem CID 86276611) has the molecular formula C8H14ClF2N and a molecular weight of 197.66 g/mol. Its IUPAC name is 6,6-difluorospiro[2.5]octan-2-amine;hydrochloride.

Molecular Properties

Compound Name6,6-difluorospiro[2.5]octan-2-amine;hydrochloride
PubChem CID86276611
Molecular FormulaC8H14ClF2N
Molecular Weight197.66 g/mol
Exact Mass197.08
IUPAC Name6,6-difluorospiro[2.5]octan-2-amine;hydrochloride
SMILESCl.NC1CC12CCC(F)(F)CC2
InChIInChI=1S/C8H13F2N.ClH/c9-8(10)3-1-7(2-4-8)5-6(7)11;/h6H,1-5,11H2;1H
InChIKeyJVOLMVVFOOGYNW-UHFFFAOYSA-N
XLogP2.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.66
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6,6-difluorospiro[2.5]octan-2-amine;hydrochloride?
The IUPAC name of 6,6-difluorospiro[2.5]octan-2-amine;hydrochloride (CID 86276611) is 6,6-difluorospiro[2.5]octan-2-amine;hydrochloride.
What is the SMILES notation for 6,6-difluorospiro[2.5]octan-2-amine;hydrochloride?
The canonical SMILES for 6,6-difluorospiro[2.5]octan-2-amine;hydrochloride is Cl.NC1CC12CCC(F)(F)CC2.
What is the InChIKey of 6,6-difluorospiro[2.5]octan-2-amine;hydrochloride?
The InChIKey is JVOLMVVFOOGYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N.ClH/c9-8(10)3-1-7(2-4-8)5-6(7)11;/h6H,1-5,11H2;1H.
What are the key properties of 6,6-difluorospiro[2.5]octan-2-amine;hydrochloride?
6,6-difluorospiro[2.5]octan-2-amine;hydrochloride has a molecular weight of 197.66 g/mol, XLogP of 2.33, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluorospiro[2.5]octan-2-amine;hydrochloride is sourced from PubChem (CID 86276611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).