2,2-difluoro-7-methyl-6-azaspiro[3.4]octane

C8H13F2N — CID 123541027

IUPAC2,2-difluoro-7-methyl-6-azaspiro[3.4]octane
SMILESCC1CC2(CN1)CC(F)(F)C2
InChIInChI=1S/C8H13F2N/c1-6-2-7(5-11-6)3-8(9,10)4-7/h6,11H,2-5H2,1H3
InChIKeyHLWFENFUABDSSZ-UHFFFAOYSA-N
MW161.19 g/mol
LogP1.78
Rot. Bonds

About 2,2-difluoro-7-methyl-6-azaspiro[3.4]octane

2,2-difluoro-7-methyl-6-azaspiro[3.4]octane (PubChem CID 123541027) has the molecular formula C8H13F2N and a molecular weight of 161.19 g/mol. Its IUPAC name is 2,2-difluoro-7-methyl-6-azaspiro[3.4]octane.

Molecular Properties

Compound Name2,2-difluoro-7-methyl-6-azaspiro[3.4]octane
PubChem CID123541027
Molecular FormulaC8H13F2N
Molecular Weight161.19 g/mol
Exact Mass161.10
IUPAC Name2,2-difluoro-7-methyl-6-azaspiro[3.4]octane
SMILESCC1CC2(CN1)CC(F)(F)C2
InChIInChI=1S/C8H13F2N/c1-6-2-7(5-11-6)3-8(9,10)4-7/h6,11H,2-5H2,1H3
InChIKeyHLWFENFUABDSSZ-UHFFFAOYSA-N
XLogP1.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.19
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

7-Methyl-6-azaspiro(3.4)octane hydrochloride
CID 86775606
2,2-Difluoro-6-azaspiro(3.4)octane;hydrochloride
CID 146082221
3-(3,3-Difluorocyclobutyl)pyrrolidine
CID 154575264
8,8-Difluoro-6-azaspiro[3.4]octane hydrochloride
CID 155289930
7-(Trifluoromethyl)-6-azaspiro[3.4]octane hydrochloride
CID 137990914
8-(Difluoromethyl)-6-azaspiro[3.4]octane
CID 146155401
(7R)-7-methyl-6-azaspiro(3.4)octane hydrochloride
CID 146155665
(7S)-7-methyl-6-azaspiro(3.4)octane hydrochloride
CID 146155769
8-(Trifluoromethyl)-6-azaspiro(3.4)octane hydrochloride
CID 165767739
(7S)-2,2-difluoro-7-methyl-6-azaspiro(3.4)octane hydrochloride
CID 165885107
(7R)-2,2-difluoro-7-methyl-6-azaspiro[3.4]octane hydrochloride
CID 167736101
(7R)-7-methyl-6-azaspiro[3.4]octane
CID 60052489

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-7-methyl-6-azaspiro[3.4]octane?
The IUPAC name of 2,2-difluoro-7-methyl-6-azaspiro[3.4]octane (CID 123541027) is 2,2-difluoro-7-methyl-6-azaspiro[3.4]octane.
What is the SMILES notation for 2,2-difluoro-7-methyl-6-azaspiro[3.4]octane?
The canonical SMILES for 2,2-difluoro-7-methyl-6-azaspiro[3.4]octane is CC1CC2(CN1)CC(F)(F)C2.
What is the InChIKey of 2,2-difluoro-7-methyl-6-azaspiro[3.4]octane?
The InChIKey is HLWFENFUABDSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N/c1-6-2-7(5-11-6)3-8(9,10)4-7/h6,11H,2-5H2,1H3.
What are the key properties of 2,2-difluoro-7-methyl-6-azaspiro[3.4]octane?
2,2-difluoro-7-methyl-6-azaspiro[3.4]octane has a molecular weight of 161.19 g/mol, XLogP of 1.78, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-7-methyl-6-azaspiro[3.4]octane is sourced from PubChem (CID 123541027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).