2-(5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)acetic acid

C15H18FNO2 — CID 54247896

IUPAC2-(5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)acetic acid
SMILESO=C(O)CC1CC2(CCNCC2)c2cc(F)ccc21
InChIInChI=1S/C15H18FNO2/c16-11-1-2-12-10(7-14(18)19)9-15(13(12)8-11)3-5-17-6-4-15/h1-2,8,10,17H,3-7,9H2,(H,18,19)
InChIKeyQUPFSJYKCABIFT-UHFFFAOYSA-N
MW263.31 g/mol
LogP2.41
Rot. Bonds2

About 2-(5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)acetic acid

2-(5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)acetic acid (PubChem CID 54247896) has the molecular formula C15H18FNO2 and a molecular weight of 263.31 g/mol. Its IUPAC name is 2-(5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)acetic acid.

Molecular Properties

Compound Name2-(5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)acetic acid
PubChem CID54247896
Molecular FormulaC15H18FNO2
Molecular Weight263.31 g/mol
Exact Mass263.13
IUPAC Name2-(5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)acetic acid
SMILESO=C(O)CC1CC2(CCNCC2)c2cc(F)ccc21
InChIInChI=1S/C15H18FNO2/c16-11-1-2-12-10(7-14(18)19)9-15(13(12)8-11)3-5-17-6-4-15/h1-2,8,10,17H,3-7,9H2,(H,18,19)
InChIKeyQUPFSJYKCABIFT-UHFFFAOYSA-N
XLogP2.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)acetic acid?
The IUPAC name of 2-(5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)acetic acid (CID 54247896) is 2-(5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)acetic acid.
What is the SMILES notation for 2-(5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)acetic acid?
The canonical SMILES for 2-(5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)acetic acid is O=C(O)CC1CC2(CCNCC2)c2cc(F)ccc21.
What is the InChIKey of 2-(5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)acetic acid?
The InChIKey is QUPFSJYKCABIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO2/c16-11-1-2-12-10(7-14(18)19)9-15(13(12)8-11)3-5-17-6-4-15/h1-2,8,10,17H,3-7,9H2,(H,18,19).
What are the key properties of 2-(5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)acetic acid?
2-(5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)acetic acid has a molecular weight of 263.31 g/mol, XLogP of 2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)acetic acid is sourced from PubChem (CID 54247896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).