spiro[indene-1,4'-piperidine];2,2,2-trifluoroacetic acid

C15H16F3NO2 — CID 67087057

IUPACspiro[indene-1,4'-piperidine];2,2,2-trifluoroacetic acid
SMILESC1=CC2(CCNCC2)c2ccccc21.O=C(O)C(F)(F)F
InChIInChI=1S/C13H15N.C2HF3O2/c1-2-4-12-11(3-1)5-6-13(12)7-9-14-10-8-13;3-2(4,5)1(6)7/h1-6,14H,7-10H2;(H,6,7)
InChIKeyHMDCFJXXFDHNPR-UHFFFAOYSA-N
MW299.29 g/mol
LogP2.97
Rot. Bonds

About spiro[indene-1,4'-piperidine];2,2,2-trifluoroacetic acid

spiro[indene-1,4'-piperidine];2,2,2-trifluoroacetic acid (PubChem CID 67087057) has the molecular formula C15H16F3NO2 and a molecular weight of 299.29 g/mol. Its IUPAC name is spiro[indene-1,4'-piperidine];2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namespiro[indene-1,4'-piperidine];2,2,2-trifluoroacetic acid
PubChem CID67087057
Molecular FormulaC15H16F3NO2
Molecular Weight299.29 g/mol
Exact Mass299.11
IUPAC Namespiro[indene-1,4'-piperidine];2,2,2-trifluoroacetic acid
SMILESC1=CC2(CCNCC2)c2ccccc21.O=C(O)C(F)(F)F
InChIInChI=1S/C13H15N.C2HF3O2/c1-2-4-12-11(3-1)5-6-13(12)7-9-14-10-8-13;3-2(4,5)1(6)7/h1-6,14H,7-10H2;(H,6,7)
InChIKeyHMDCFJXXFDHNPR-UHFFFAOYSA-N
XLogP2.97
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of spiro[indene-1,4'-piperidine];2,2,2-trifluoroacetic acid?
The IUPAC name of spiro[indene-1,4'-piperidine];2,2,2-trifluoroacetic acid (CID 67087057) is spiro[indene-1,4'-piperidine];2,2,2-trifluoroacetic acid.
What is the SMILES notation for spiro[indene-1,4'-piperidine];2,2,2-trifluoroacetic acid?
The canonical SMILES for spiro[indene-1,4'-piperidine];2,2,2-trifluoroacetic acid is C1=CC2(CCNCC2)c2ccccc21.O=C(O)C(F)(F)F.
What is the InChIKey of spiro[indene-1,4'-piperidine];2,2,2-trifluoroacetic acid?
The InChIKey is HMDCFJXXFDHNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N.C2HF3O2/c1-2-4-12-11(3-1)5-6-13(12)7-9-14-10-8-13;3-2(4,5)1(6)7/h1-6,14H,7-10H2;(H,6,7).
What are the key properties of spiro[indene-1,4'-piperidine];2,2,2-trifluoroacetic acid?
spiro[indene-1,4'-piperidine];2,2,2-trifluoroacetic acid has a molecular weight of 299.29 g/mol, XLogP of 2.97, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[indene-1,4'-piperidine];2,2,2-trifluoroacetic acid is sourced from PubChem (CID 67087057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).