ethane;2-methyl-7-(trifluoromethyl)-2-azaspiro[3.3]heptane

C10H18F3N — CID 177232346

IUPACethane;2-methyl-7-(trifluoromethyl)-2-azaspiro[3.3]heptane
SMILESCC.CN1CC2(CCC2C(F)(F)F)C1
InChIInChI=1S/C8H12F3N.C2H6/c1-12-4-7(5-12)3-2-6(7)8(9,10)11;1-2/h6H,2-5H2,1H3;1-2H3
InChIKeyDUCGTXVEZVOZNL-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.92
Rot. Bonds

About ethane;2-methyl-7-(trifluoromethyl)-2-azaspiro[3.3]heptane

ethane;2-methyl-7-(trifluoromethyl)-2-azaspiro[3.3]heptane (PubChem CID 177232346) has the molecular formula C10H18F3N and a molecular weight of 209.25 g/mol. Its IUPAC name is ethane;2-methyl-7-(trifluoromethyl)-2-azaspiro[3.3]heptane.

Molecular Properties

Compound Nameethane;2-methyl-7-(trifluoromethyl)-2-azaspiro[3.3]heptane
PubChem CID177232346
Molecular FormulaC10H18F3N
Molecular Weight209.25 g/mol
Exact Mass209.14
IUPAC Nameethane;2-methyl-7-(trifluoromethyl)-2-azaspiro[3.3]heptane
SMILESCC.CN1CC2(CCC2C(F)(F)F)C1
InChIInChI=1S/C8H12F3N.C2H6/c1-12-4-7(5-12)3-2-6(7)8(9,10)11;1-2/h6H,2-5H2,1H3;1-2H3
InChIKeyDUCGTXVEZVOZNL-UHFFFAOYSA-N
XLogP2.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-7-(trifluoromethyl)-2-azaspiro[3.3]heptane?
The IUPAC name of ethane;2-methyl-7-(trifluoromethyl)-2-azaspiro[3.3]heptane (CID 177232346) is ethane;2-methyl-7-(trifluoromethyl)-2-azaspiro[3.3]heptane.
What is the SMILES notation for ethane;2-methyl-7-(trifluoromethyl)-2-azaspiro[3.3]heptane?
The canonical SMILES for ethane;2-methyl-7-(trifluoromethyl)-2-azaspiro[3.3]heptane is CC.CN1CC2(CCC2C(F)(F)F)C1.
What is the InChIKey of ethane;2-methyl-7-(trifluoromethyl)-2-azaspiro[3.3]heptane?
The InChIKey is DUCGTXVEZVOZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N.C2H6/c1-12-4-7(5-12)3-2-6(7)8(9,10)11;1-2/h6H,2-5H2,1H3;1-2H3.
What are the key properties of ethane;2-methyl-7-(trifluoromethyl)-2-azaspiro[3.3]heptane?
ethane;2-methyl-7-(trifluoromethyl)-2-azaspiro[3.3]heptane has a molecular weight of 209.25 g/mol, XLogP of 2.92, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-7-(trifluoromethyl)-2-azaspiro[3.3]heptane is sourced from PubChem (CID 177232346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).