7,7-difluoro-5-oxa-2-azaspiro[3.4]octane;2,2,2-trifluoroacetic acid

C8H10F5NO3 — CID 134819029

IUPAC7,7-difluoro-5-oxa-2-azaspiro[3.4]octane;2,2,2-trifluoroacetic acid
SMILESFC1(F)COC2(CNC2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H9F2NO.C2HF3O2/c7-6(8)1-5(10-4-6)2-9-3-5;3-2(4,5)1(6)7/h9H,1-4H2;(H,6,7)
InChIKeyUVMYPEYYQIKQPF-UHFFFAOYSA-N
MW263.16 g/mol
LogP1.02
Rot. Bonds

About 7,7-difluoro-5-oxa-2-azaspiro[3.4]octane;2,2,2-trifluoroacetic acid

7,7-difluoro-5-oxa-2-azaspiro[3.4]octane;2,2,2-trifluoroacetic acid (PubChem CID 134819029) has the molecular formula C8H10F5NO3 and a molecular weight of 263.16 g/mol. Its IUPAC name is 7,7-difluoro-5-oxa-2-azaspiro[3.4]octane;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name7,7-difluoro-5-oxa-2-azaspiro[3.4]octane;2,2,2-trifluoroacetic acid
PubChem CID134819029
Molecular FormulaC8H10F5NO3
Molecular Weight263.16 g/mol
Exact Mass263.06
IUPAC Name7,7-difluoro-5-oxa-2-azaspiro[3.4]octane;2,2,2-trifluoroacetic acid
SMILESFC1(F)COC2(CNC2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H9F2NO.C2HF3O2/c7-6(8)1-5(10-4-6)2-9-3-5;3-2(4,5)1(6)7/h9H,1-4H2;(H,6,7)
InChIKeyUVMYPEYYQIKQPF-UHFFFAOYSA-N
XLogP1.02
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.16
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7,7-difluoro-5-oxa-2-azaspiro[3.4]octane;2,2,2-trifluoroacetic acid?
The IUPAC name of 7,7-difluoro-5-oxa-2-azaspiro[3.4]octane;2,2,2-trifluoroacetic acid (CID 134819029) is 7,7-difluoro-5-oxa-2-azaspiro[3.4]octane;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 7,7-difluoro-5-oxa-2-azaspiro[3.4]octane;2,2,2-trifluoroacetic acid?
The canonical SMILES for 7,7-difluoro-5-oxa-2-azaspiro[3.4]octane;2,2,2-trifluoroacetic acid is FC1(F)COC2(CNC2)C1.O=C(O)C(F)(F)F.
What is the InChIKey of 7,7-difluoro-5-oxa-2-azaspiro[3.4]octane;2,2,2-trifluoroacetic acid?
The InChIKey is UVMYPEYYQIKQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2NO.C2HF3O2/c7-6(8)1-5(10-4-6)2-9-3-5;3-2(4,5)1(6)7/h9H,1-4H2;(H,6,7).
What are the key properties of 7,7-difluoro-5-oxa-2-azaspiro[3.4]octane;2,2,2-trifluoroacetic acid?
7,7-difluoro-5-oxa-2-azaspiro[3.4]octane;2,2,2-trifluoroacetic acid has a molecular weight of 263.16 g/mol, XLogP of 1.02, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-difluoro-5-oxa-2-azaspiro[3.4]octane;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 134819029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).