2,2-difluoro-6,7-dimethyl-6-azaspiro[3.4]octane;ethane

C11H21F2N — CID 177157431

IUPAC2,2-difluoro-6,7-dimethyl-6-azaspiro[3.4]octane;ethane
SMILESCC.CC1CC2(CN1C)CC(F)(F)C2
InChIInChI=1S/C9H15F2N.C2H6/c1-7-3-8(6-12(7)2)4-9(10,11)5-8;1-2/h7H,3-6H2,1-2H3;1-2H3
InChIKeyQKVVXBZPJPQFKM-UHFFFAOYSA-N
MW205.29 g/mol
LogP3.15
Rot. Bonds

About 2,2-difluoro-6,7-dimethyl-6-azaspiro[3.4]octane;ethane

2,2-difluoro-6,7-dimethyl-6-azaspiro[3.4]octane;ethane (PubChem CID 177157431) has the molecular formula C11H21F2N and a molecular weight of 205.29 g/mol. Its IUPAC name is 2,2-difluoro-6,7-dimethyl-6-azaspiro[3.4]octane;ethane.

Molecular Properties

Compound Name2,2-difluoro-6,7-dimethyl-6-azaspiro[3.4]octane;ethane
PubChem CID177157431
Molecular FormulaC11H21F2N
Molecular Weight205.29 g/mol
Exact Mass205.16
IUPAC Name2,2-difluoro-6,7-dimethyl-6-azaspiro[3.4]octane;ethane
SMILESCC.CC1CC2(CN1C)CC(F)(F)C2
InChIInChI=1S/C9H15F2N.C2H6/c1-7-3-8(6-12(7)2)4-9(10,11)5-8;1-2/h7H,3-6H2,1-2H3;1-2H3
InChIKeyQKVVXBZPJPQFKM-UHFFFAOYSA-N
XLogP3.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.29
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(7R)-2,2,6,7-tetramethyl-6-azaspiro[3.4]octane
CID 167522004
5,6-dimethyl-5-azaspiro[2.4]heptane;ethane
CID 144912069
(2S)-4-fluoro-1,2,4-trimethylpyrrolidine
CID 90327705
(2R)-1,2,4,4-tetramethylpyrrolidine
CID 93499502
(3R)-2,3,7,9-tetramethyl-6,10-dioxa-2-azaspiro[4.5]decane
CID 130401910
(8R)-7,8-dimethyl-1,4-dithia-7-azaspiro[4.4]nonane
CID 59048713
(4,4-difluoro-1-methylpyrrolidin-2-yl)methanol;tungsten
CID 170766869
(1,3,5-trimethylpyrrolidin-3-yl)methanol
CID 72524820
CID 175625880
CID 175625880
2-tert-butyl-6,6-difluoro-2-azaspiro[3.3]heptane
CID 118441648
2,2-difluorospiro[3.3]heptan-6-amine
CID 54595506
1,5-dimethyl-3-prop-1-en-2-ylpyrrolidin-3-ol
CID 81467421

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-6,7-dimethyl-6-azaspiro[3.4]octane;ethane?
The IUPAC name of 2,2-difluoro-6,7-dimethyl-6-azaspiro[3.4]octane;ethane (CID 177157431) is 2,2-difluoro-6,7-dimethyl-6-azaspiro[3.4]octane;ethane.
What is the SMILES notation for 2,2-difluoro-6,7-dimethyl-6-azaspiro[3.4]octane;ethane?
The canonical SMILES for 2,2-difluoro-6,7-dimethyl-6-azaspiro[3.4]octane;ethane is CC.CC1CC2(CN1C)CC(F)(F)C2.
What is the InChIKey of 2,2-difluoro-6,7-dimethyl-6-azaspiro[3.4]octane;ethane?
The InChIKey is QKVVXBZPJPQFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N.C2H6/c1-7-3-8(6-12(7)2)4-9(10,11)5-8;1-2/h7H,3-6H2,1-2H3;1-2H3.
What are the key properties of 2,2-difluoro-6,7-dimethyl-6-azaspiro[3.4]octane;ethane?
2,2-difluoro-6,7-dimethyl-6-azaspiro[3.4]octane;ethane has a molecular weight of 205.29 g/mol, XLogP of 3.15, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-6,7-dimethyl-6-azaspiro[3.4]octane;ethane is sourced from PubChem (CID 177157431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).