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

C8H14ClF2N — CID 121209137

IUPAC2,2-difluorospiro[2.5]octan-6-amine;hydrochloride
SMILESCl.NC1CCC2(CC1)CC2(F)F
InChIInChI=1S/C8H13F2N.ClH/c9-8(10)5-7(8)3-1-6(11)2-4-7;/h6H,1-5,11H2;1H
InChIKeyQCAZHLJSDLFFML-UHFFFAOYSA-N
MW197.66 g/mol
LogP2.33
Rot. Bonds

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

2,2-difluorospiro[2.5]octan-6-amine;hydrochloride (PubChem CID 121209137) has the molecular formula C8H14ClF2N and a molecular weight of 197.66 g/mol. Its IUPAC name is 2,2-difluorospiro[2.5]octan-6-amine;hydrochloride.

Molecular Properties

Compound Name2,2-difluorospiro[2.5]octan-6-amine;hydrochloride
PubChem CID121209137
Molecular FormulaC8H14ClF2N
Molecular Weight197.66 g/mol
Exact Mass197.08
IUPAC Name2,2-difluorospiro[2.5]octan-6-amine;hydrochloride
SMILESCl.NC1CCC2(CC1)CC2(F)F
InChIInChI=1S/C8H13F2N.ClH/c9-8(10)5-7(8)3-1-6(11)2-4-7;/h6H,1-5,11H2;1H
InChIKeyQCAZHLJSDLFFML-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 2,2-difluorospiro[2.5]octan-6-amine;hydrochloride?
The IUPAC name of 2,2-difluorospiro[2.5]octan-6-amine;hydrochloride (CID 121209137) is 2,2-difluorospiro[2.5]octan-6-amine;hydrochloride.
What is the SMILES notation for 2,2-difluorospiro[2.5]octan-6-amine;hydrochloride?
The canonical SMILES for 2,2-difluorospiro[2.5]octan-6-amine;hydrochloride is Cl.NC1CCC2(CC1)CC2(F)F.
What is the InChIKey of 2,2-difluorospiro[2.5]octan-6-amine;hydrochloride?
The InChIKey is QCAZHLJSDLFFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N.ClH/c9-8(10)5-7(8)3-1-6(11)2-4-7;/h6H,1-5,11H2;1H.
What are the key properties of 2,2-difluorospiro[2.5]octan-6-amine;hydrochloride?
2,2-difluorospiro[2.5]octan-6-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 2,2-difluorospiro[2.5]octan-6-amine;hydrochloride is sourced from PubChem (CID 121209137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).