(7R)-7-fluoro-5-oxa-2-azaspiro[3.4]octane;2,2,2-trifluoroacetic acid

C8H11F4NO3 — CID 146272784

IUPAC(7R)-7-fluoro-5-oxa-2-azaspiro[3.4]octane;2,2,2-trifluoroacetic acid
SMILESF[C@H]1COC2(CNC2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H10FNO.C2HF3O2/c7-5-1-6(9-2-5)3-8-4-6;3-2(4,5)1(6)7/h5,8H,1-4H2;(H,6,7)/t5-;/m1./s1
InChIKeyALCMKQREDGNDJL-NUBCRITNSA-N
MW245.17 g/mol
LogP0.72
Rot. Bonds

About (7R)-7-fluoro-5-oxa-2-azaspiro[3.4]octane;2,2,2-trifluoroacetic acid

(7R)-7-fluoro-5-oxa-2-azaspiro[3.4]octane;2,2,2-trifluoroacetic acid (PubChem CID 146272784) has the molecular formula C8H11F4NO3 and a molecular weight of 245.17 g/mol. Its IUPAC name is (7R)-7-fluoro-5-oxa-2-azaspiro[3.4]octane;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(7R)-7-fluoro-5-oxa-2-azaspiro[3.4]octane;2,2,2-trifluoroacetic acid
PubChem CID146272784
Molecular FormulaC8H11F4NO3
Molecular Weight245.17 g/mol
Exact Mass245.07
IUPAC Name(7R)-7-fluoro-5-oxa-2-azaspiro[3.4]octane;2,2,2-trifluoroacetic acid
SMILESF[C@H]1COC2(CNC2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H10FNO.C2HF3O2/c7-5-1-6(9-2-5)3-8-4-6;3-2(4,5)1(6)7/h5,8H,1-4H2;(H,6,7)/t5-;/m1./s1
InChIKeyALCMKQREDGNDJL-NUBCRITNSA-N
XLogP0.72
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.17
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (7R)-7-fluoro-5-oxa-2-azaspiro[3.4]octane;2,2,2-trifluoroacetic acid?
The IUPAC name of (7R)-7-fluoro-5-oxa-2-azaspiro[3.4]octane;2,2,2-trifluoroacetic acid (CID 146272784) is (7R)-7-fluoro-5-oxa-2-azaspiro[3.4]octane;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (7R)-7-fluoro-5-oxa-2-azaspiro[3.4]octane;2,2,2-trifluoroacetic acid?
The canonical SMILES for (7R)-7-fluoro-5-oxa-2-azaspiro[3.4]octane;2,2,2-trifluoroacetic acid is F[C@H]1COC2(CNC2)C1.O=C(O)C(F)(F)F.
What is the InChIKey of (7R)-7-fluoro-5-oxa-2-azaspiro[3.4]octane;2,2,2-trifluoroacetic acid?
The InChIKey is ALCMKQREDGNDJL-NUBCRITNSA-N. The full InChI is InChI=1S/C6H10FNO.C2HF3O2/c7-5-1-6(9-2-5)3-8-4-6;3-2(4,5)1(6)7/h5,8H,1-4H2;(H,6,7)/t5-;/m1./s1.
What are the key properties of (7R)-7-fluoro-5-oxa-2-azaspiro[3.4]octane;2,2,2-trifluoroacetic acid?
(7R)-7-fluoro-5-oxa-2-azaspiro[3.4]octane;2,2,2-trifluoroacetic acid has a molecular weight of 245.17 g/mol, XLogP of 0.72, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-fluoro-5-oxa-2-azaspiro[3.4]octane;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 146272784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).