7,7-difluoro-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid

C8H10F5NO2 — CID 91663925

IUPAC7,7-difluoro-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid
SMILESFC1(F)CCC12CNC2.O=C(O)C(F)(F)F
InChIInChI=1S/C6H9F2N.C2HF3O2/c7-6(8)2-1-5(6)3-9-4-5;3-2(4,5)1(6)7/h9H,1-4H2;(H,6,7)
InChIKeyCITVMPKPGUBZQE-UHFFFAOYSA-N
MW247.16 g/mol
LogP1.64
Rot. Bonds

About 7,7-difluoro-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid

7,7-difluoro-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid (PubChem CID 91663925) has the molecular formula C8H10F5NO2 and a molecular weight of 247.16 g/mol. Its IUPAC name is 7,7-difluoro-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name7,7-difluoro-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid
PubChem CID91663925
Molecular FormulaC8H10F5NO2
Molecular Weight247.16 g/mol
Exact Mass247.06
IUPAC Name7,7-difluoro-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid
SMILESFC1(F)CCC12CNC2.O=C(O)C(F)(F)F
InChIInChI=1S/C6H9F2N.C2HF3O2/c7-6(8)2-1-5(6)3-9-4-5;3-2(4,5)1(6)7/h9H,1-4H2;(H,6,7)
InChIKeyCITVMPKPGUBZQE-UHFFFAOYSA-N
XLogP1.64
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.16
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,7-difluoro-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid?
The IUPAC name of 7,7-difluoro-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid (CID 91663925) is 7,7-difluoro-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 7,7-difluoro-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid?
The canonical SMILES for 7,7-difluoro-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid is FC1(F)CCC12CNC2.O=C(O)C(F)(F)F.
What is the InChIKey of 7,7-difluoro-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid?
The InChIKey is CITVMPKPGUBZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2N.C2HF3O2/c7-6(8)2-1-5(6)3-9-4-5;3-2(4,5)1(6)7/h9H,1-4H2;(H,6,7).
What are the key properties of 7,7-difluoro-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid?
7,7-difluoro-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid has a molecular weight of 247.16 g/mol, XLogP of 1.64, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-difluoro-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 91663925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).