2-ethyl-6,6-difluoro-2-azaspiro[3.3]heptane;1-ethyl-3,3-dimethylpyrrolidine;2-fluoropropane

C19H37F3N2 — CID 163239079

IUPAC2-ethyl-6,6-difluoro-2-azaspiro[3.3]heptane;1-ethyl-3,3-dimethylpyrrolidine;2-fluoropropane
SMILESCC(C)F.CCN1CC2(C1)CC(F)(F)C2.CCN1CCC(C)(C)C1
InChIInChI=1S/C8H13F2N.C8H17N.C3H7F/c1-2-11-5-7(6-11)3-8(9,10)4-7;1-4-9-6-5-8(2,3)7-9;1-3(2)4/h2-6H2,1H3;4-7H2,1-3H3;3H,1-2H3
InChIKeyMZGXQAPODFHZID-UHFFFAOYSA-N
MW350.51 g/mol
LogP4.84
Rot. Bonds2

About 2-ethyl-6,6-difluoro-2-azaspiro[3.3]heptane;1-ethyl-3,3-dimethylpyrrolidine;2-fluoropropane

2-ethyl-6,6-difluoro-2-azaspiro[3.3]heptane;1-ethyl-3,3-dimethylpyrrolidine;2-fluoropropane (PubChem CID 163239079) has the molecular formula C19H37F3N2 and a molecular weight of 350.51 g/mol. Its IUPAC name is 2-ethyl-6,6-difluoro-2-azaspiro[3.3]heptane;1-ethyl-3,3-dimethylpyrrolidine;2-fluoropropane.

Molecular Properties

Compound Name2-ethyl-6,6-difluoro-2-azaspiro[3.3]heptane;1-ethyl-3,3-dimethylpyrrolidine;2-fluoropropane
PubChem CID163239079
Molecular FormulaC19H37F3N2
Molecular Weight350.51 g/mol
Exact Mass350.29
IUPAC Name2-ethyl-6,6-difluoro-2-azaspiro[3.3]heptane;1-ethyl-3,3-dimethylpyrrolidine;2-fluoropropane
SMILESCC(C)F.CCN1CC2(C1)CC(F)(F)C2.CCN1CCC(C)(C)C1
InChIInChI=1S/C8H13F2N.C8H17N.C3H7F/c1-2-11-5-7(6-11)3-8(9,10)4-7;1-4-9-6-5-8(2,3)7-9;1-3(2)4/h2-6H2,1H3;4-7H2,1-3H3;3H,1-2H3
InChIKeyMZGXQAPODFHZID-UHFFFAOYSA-N
XLogP4.84
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6,6-difluoro-2-azaspiro[3.3]heptane;1-ethyl-3,3-dimethylpyrrolidine;2-fluoropropane?
The IUPAC name of 2-ethyl-6,6-difluoro-2-azaspiro[3.3]heptane;1-ethyl-3,3-dimethylpyrrolidine;2-fluoropropane (CID 163239079) is 2-ethyl-6,6-difluoro-2-azaspiro[3.3]heptane;1-ethyl-3,3-dimethylpyrrolidine;2-fluoropropane.
What is the SMILES notation for 2-ethyl-6,6-difluoro-2-azaspiro[3.3]heptane;1-ethyl-3,3-dimethylpyrrolidine;2-fluoropropane?
The canonical SMILES for 2-ethyl-6,6-difluoro-2-azaspiro[3.3]heptane;1-ethyl-3,3-dimethylpyrrolidine;2-fluoropropane is CC(C)F.CCN1CC2(C1)CC(F)(F)C2.CCN1CCC(C)(C)C1.
What is the InChIKey of 2-ethyl-6,6-difluoro-2-azaspiro[3.3]heptane;1-ethyl-3,3-dimethylpyrrolidine;2-fluoropropane?
The InChIKey is MZGXQAPODFHZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N.C8H17N.C3H7F/c1-2-11-5-7(6-11)3-8(9,10)4-7;1-4-9-6-5-8(2,3)7-9;1-3(2)4/h2-6H2,1H3;4-7H2,1-3H3;3H,1-2H3.
What are the key properties of 2-ethyl-6,6-difluoro-2-azaspiro[3.3]heptane;1-ethyl-3,3-dimethylpyrrolidine;2-fluoropropane?
2-ethyl-6,6-difluoro-2-azaspiro[3.3]heptane;1-ethyl-3,3-dimethylpyrrolidine;2-fluoropropane has a molecular weight of 350.51 g/mol, XLogP of 4.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6,6-difluoro-2-azaspiro[3.3]heptane;1-ethyl-3,3-dimethylpyrrolidine;2-fluoropropane is sourced from PubChem (CID 163239079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).