2,2-difluoro-6-propan-2-yl-6-azaspiro[3.4]octane;ethane

C12H23F2N — CID 170740276

IUPAC2,2-difluoro-6-propan-2-yl-6-azaspiro[3.4]octane;ethane
SMILESCC.CC(C)N1CCC2(C1)CC(F)(F)C2
InChIInChI=1S/C10H17F2N.C2H6/c1-8(2)13-4-3-9(7-13)5-10(11,12)6-9;1-2/h8H,3-7H2,1-2H3;1-2H3
InChIKeyVJIJBIAWXQTAKW-UHFFFAOYSA-N
MW219.32 g/mol
LogP3.54
Rot. Bonds1

About 2,2-difluoro-6-propan-2-yl-6-azaspiro[3.4]octane;ethane

2,2-difluoro-6-propan-2-yl-6-azaspiro[3.4]octane;ethane (PubChem CID 170740276) has the molecular formula C12H23F2N and a molecular weight of 219.32 g/mol. Its IUPAC name is 2,2-difluoro-6-propan-2-yl-6-azaspiro[3.4]octane;ethane.

Molecular Properties

Compound Name2,2-difluoro-6-propan-2-yl-6-azaspiro[3.4]octane;ethane
PubChem CID170740276
Molecular FormulaC12H23F2N
Molecular Weight219.32 g/mol
Exact Mass219.18
IUPAC Name2,2-difluoro-6-propan-2-yl-6-azaspiro[3.4]octane;ethane
SMILESCC.CC(C)N1CCC2(C1)CC(F)(F)C2
InChIInChI=1S/C10H17F2N.C2H6/c1-8(2)13-4-3-9(7-13)5-10(11,12)6-9;1-2/h8H,3-7H2,1-2H3;1-2H3
InChIKeyVJIJBIAWXQTAKW-UHFFFAOYSA-N
XLogP3.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.32
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane
CID 163848476
ethane;2-propan-2-yl-2-azaspiro[4.5]decane
CID 144877753
ethane;7-propan-2-yl-2-oxa-7-azaspiro[3.4]octane
CID 158223756
ethane;7-methyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane
CID 145449305
ethane;methane;2-methyl-6-propan-2-yl-2,6-diazaspiro[3.4]octane
CID 162125868
2,9-di(propan-2-yl)-2,9-diazaspiro[5.5]undecane;ethane
CID 172605205
8,8-dimethyl-2-propan-2-yl-2-azaspiro[4.5]decane
CID 134166256
8-iodo-2-propan-2-yl-2,8-diazaspiro[4.5]decane
CID 135200103
1-(7-propan-2-yl-2,7-diazaspiro[4.4]nonan-2-yl)ethanethiol
CID 130380883
ethane;2-ethyl-7-propan-2-yl-2,7-diazaspiro[3.4]octane
CID 156798626
ethane;7-ethyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane
CID 164540860
ethane;2-methylsulfinyl-7-propan-2-yl-2,7-diazaspiro[4.4]nonane
CID 170740072

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-6-propan-2-yl-6-azaspiro[3.4]octane;ethane?
The IUPAC name of 2,2-difluoro-6-propan-2-yl-6-azaspiro[3.4]octane;ethane (CID 170740276) is 2,2-difluoro-6-propan-2-yl-6-azaspiro[3.4]octane;ethane.
What is the SMILES notation for 2,2-difluoro-6-propan-2-yl-6-azaspiro[3.4]octane;ethane?
The canonical SMILES for 2,2-difluoro-6-propan-2-yl-6-azaspiro[3.4]octane;ethane is CC.CC(C)N1CCC2(C1)CC(F)(F)C2.
What is the InChIKey of 2,2-difluoro-6-propan-2-yl-6-azaspiro[3.4]octane;ethane?
The InChIKey is VJIJBIAWXQTAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N.C2H6/c1-8(2)13-4-3-9(7-13)5-10(11,12)6-9;1-2/h8H,3-7H2,1-2H3;1-2H3.
What are the key properties of 2,2-difluoro-6-propan-2-yl-6-azaspiro[3.4]octane;ethane?
2,2-difluoro-6-propan-2-yl-6-azaspiro[3.4]octane;ethane has a molecular weight of 219.32 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-6-propan-2-yl-6-azaspiro[3.4]octane;ethane is sourced from PubChem (CID 170740276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).