6-(difluoromethoxy)-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid

C9H12F5NO3 — CID 171397252

IUPAC6-(difluoromethoxy)-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid
SMILESFC(F)OC1CC2(CNC2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H11F2NO.C2HF3O2/c8-6(9)11-5-1-7(2-5)3-10-4-7;3-2(4,5)1(6)7/h5-6,10H,1-4H2;(H,6,7)
InChIKeyJAZBSFXCTCYYRT-UHFFFAOYSA-N
MW277.19 g/mol
LogP1.61
Rot. Bonds2

About 6-(difluoromethoxy)-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid

6-(difluoromethoxy)-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid (PubChem CID 171397252) has the molecular formula C9H12F5NO3 and a molecular weight of 277.19 g/mol. Its IUPAC name is 6-(difluoromethoxy)-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name6-(difluoromethoxy)-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid
PubChem CID171397252
Molecular FormulaC9H12F5NO3
Molecular Weight277.19 g/mol
Exact Mass277.07
IUPAC Name6-(difluoromethoxy)-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid
SMILESFC(F)OC1CC2(CNC2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H11F2NO.C2HF3O2/c8-6(9)11-5-1-7(2-5)3-10-4-7;3-2(4,5)1(6)7/h5-6,10H,1-4H2;(H,6,7)
InChIKeyJAZBSFXCTCYYRT-UHFFFAOYSA-N
XLogP1.61
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.19
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethoxy)-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid?
The IUPAC name of 6-(difluoromethoxy)-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid (CID 171397252) is 6-(difluoromethoxy)-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 6-(difluoromethoxy)-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid?
The canonical SMILES for 6-(difluoromethoxy)-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid is FC(F)OC1CC2(CNC2)C1.O=C(O)C(F)(F)F.
What is the InChIKey of 6-(difluoromethoxy)-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid?
The InChIKey is JAZBSFXCTCYYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO.C2HF3O2/c8-6(9)11-5-1-7(2-5)3-10-4-7;3-2(4,5)1(6)7/h5-6,10H,1-4H2;(H,6,7).
What are the key properties of 6-(difluoromethoxy)-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid?
6-(difluoromethoxy)-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid has a molecular weight of 277.19 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethoxy)-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 171397252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).