6-fluoro-6-methyl-2-azaspiro[3.3]heptane;hydrochloride

C7H13ClFN — CID 146049503

IUPAC6-fluoro-6-methyl-2-azaspiro[3.3]heptane;hydrochloride
SMILESCC1(F)CC2(CNC2)C1.Cl
InChIInChI=1S/C7H12FN.ClH/c1-6(8)2-7(3-6)4-9-5-7;/h9H,2-5H2,1H3;1H
InChIKeyXCGNNKUOOIQAEZ-UHFFFAOYSA-N
MW165.64 g/mol
LogP1.52
Rot. Bonds

About 6-fluoro-6-methyl-2-azaspiro[3.3]heptane;hydrochloride

6-fluoro-6-methyl-2-azaspiro[3.3]heptane;hydrochloride (PubChem CID 146049503) has the molecular formula C7H13ClFN and a molecular weight of 165.64 g/mol. Its IUPAC name is 6-fluoro-6-methyl-2-azaspiro[3.3]heptane;hydrochloride.

Molecular Properties

Compound Name6-fluoro-6-methyl-2-azaspiro[3.3]heptane;hydrochloride
PubChem CID146049503
Molecular FormulaC7H13ClFN
Molecular Weight165.64 g/mol
Exact Mass165.07
IUPAC Name6-fluoro-6-methyl-2-azaspiro[3.3]heptane;hydrochloride
SMILESCC1(F)CC2(CNC2)C1.Cl
InChIInChI=1S/C7H12FN.ClH/c1-6(8)2-7(3-6)4-9-5-7;/h9H,2-5H2,1H3;1H
InChIKeyXCGNNKUOOIQAEZ-UHFFFAOYSA-N
XLogP1.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.64
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-6-methyl-2-azaspiro[3.3]heptane;hydrochloride?
The IUPAC name of 6-fluoro-6-methyl-2-azaspiro[3.3]heptane;hydrochloride (CID 146049503) is 6-fluoro-6-methyl-2-azaspiro[3.3]heptane;hydrochloride.
What is the SMILES notation for 6-fluoro-6-methyl-2-azaspiro[3.3]heptane;hydrochloride?
The canonical SMILES for 6-fluoro-6-methyl-2-azaspiro[3.3]heptane;hydrochloride is CC1(F)CC2(CNC2)C1.Cl.
What is the InChIKey of 6-fluoro-6-methyl-2-azaspiro[3.3]heptane;hydrochloride?
The InChIKey is XCGNNKUOOIQAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FN.ClH/c1-6(8)2-7(3-6)4-9-5-7;/h9H,2-5H2,1H3;1H.
What are the key properties of 6-fluoro-6-methyl-2-azaspiro[3.3]heptane;hydrochloride?
6-fluoro-6-methyl-2-azaspiro[3.3]heptane;hydrochloride has a molecular weight of 165.64 g/mol, XLogP of 1.52, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-6-methyl-2-azaspiro[3.3]heptane;hydrochloride is sourced from PubChem (CID 146049503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).