(7R)-2,2-difluoro-7-methyl-6-azaspiro[3.4]octane;hydrochloride

C8H14ClF2N — CID 167736101

IUPAC(7R)-2,2-difluoro-7-methyl-6-azaspiro[3.4]octane;hydrochloride
SMILESC[C@@H]1CC2(CN1)CC(F)(F)C2.Cl
InChIInChI=1S/C8H13F2N.ClH/c1-6-2-7(5-11-6)3-8(9,10)4-7;/h6,11H,2-5H2,1H3;1H/t6-;/m1./s1
InChIKeyKBTGMCQPPRWRED-FYZOBXCZSA-N
MW197.66 g/mol
LogP2.21
Rot. Bonds

About (7R)-2,2-difluoro-7-methyl-6-azaspiro[3.4]octane;hydrochloride

(7R)-2,2-difluoro-7-methyl-6-azaspiro[3.4]octane;hydrochloride (PubChem CID 167736101) has the molecular formula C8H14ClF2N and a molecular weight of 197.66 g/mol. Its IUPAC name is (7R)-2,2-difluoro-7-methyl-6-azaspiro[3.4]octane;hydrochloride.

Molecular Properties

Compound Name(7R)-2,2-difluoro-7-methyl-6-azaspiro[3.4]octane;hydrochloride
PubChem CID167736101
Molecular FormulaC8H14ClF2N
Molecular Weight197.66 g/mol
Exact Mass197.08
IUPAC Name(7R)-2,2-difluoro-7-methyl-6-azaspiro[3.4]octane;hydrochloride
SMILESC[C@@H]1CC2(CN1)CC(F)(F)C2.Cl
InChIInChI=1S/C8H13F2N.ClH/c1-6-2-7(5-11-6)3-8(9,10)4-7;/h6,11H,2-5H2,1H3;1H/t6-;/m1./s1
InChIKeyKBTGMCQPPRWRED-FYZOBXCZSA-N
XLogP2.21
TPSA12.03 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 ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (7R)-2,2-difluoro-7-methyl-6-azaspiro[3.4]octane;hydrochloride?
The IUPAC name of (7R)-2,2-difluoro-7-methyl-6-azaspiro[3.4]octane;hydrochloride (CID 167736101) is (7R)-2,2-difluoro-7-methyl-6-azaspiro[3.4]octane;hydrochloride.
What is the SMILES notation for (7R)-2,2-difluoro-7-methyl-6-azaspiro[3.4]octane;hydrochloride?
The canonical SMILES for (7R)-2,2-difluoro-7-methyl-6-azaspiro[3.4]octane;hydrochloride is C[C@@H]1CC2(CN1)CC(F)(F)C2.Cl.
What is the InChIKey of (7R)-2,2-difluoro-7-methyl-6-azaspiro[3.4]octane;hydrochloride?
The InChIKey is KBTGMCQPPRWRED-FYZOBXCZSA-N. The full InChI is InChI=1S/C8H13F2N.ClH/c1-6-2-7(5-11-6)3-8(9,10)4-7;/h6,11H,2-5H2,1H3;1H/t6-;/m1./s1.
What are the key properties of (7R)-2,2-difluoro-7-methyl-6-azaspiro[3.4]octane;hydrochloride?
(7R)-2,2-difluoro-7-methyl-6-azaspiro[3.4]octane;hydrochloride has a molecular weight of 197.66 g/mol, XLogP of 2.21, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-2,2-difluoro-7-methyl-6-azaspiro[3.4]octane;hydrochloride is sourced from PubChem (CID 167736101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).