2,2,2-trifluoro-1-(7-hydroxyspiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine]-1'-yl)ethanone

C16H18F3NO2 — CID 19045675

IUPAC2,2,2-trifluoro-1-(7-hydroxyspiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine]-1'-yl)ethanone
SMILESO=C(N1CCCCC12CCc1cc(O)ccc1C2)C(F)(F)F
InChIInChI=1S/C16H18F3NO2/c17-16(18,19)14(22)20-8-2-1-6-15(20)7-5-11-9-13(21)4-3-12(11)10-15/h3-4,9,21H,1-2,5-8,10H2
InChIKeyWYDRMGRNGYIKDR-UHFFFAOYSA-N
MW313.32 g/mol
LogP3.19
Rot. Bonds

About 2,2,2-trifluoro-1-(7-hydroxyspiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine]-1'-yl)ethanone

2,2,2-trifluoro-1-(7-hydroxyspiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine]-1'-yl)ethanone (PubChem CID 19045675) has the molecular formula C16H18F3NO2 and a molecular weight of 313.32 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(7-hydroxyspiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine]-1'-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(7-hydroxyspiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine]-1'-yl)ethanone
PubChem CID19045675
Molecular FormulaC16H18F3NO2
Molecular Weight313.32 g/mol
Exact Mass313.13
IUPAC Name2,2,2-trifluoro-1-(7-hydroxyspiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine]-1'-yl)ethanone
SMILESO=C(N1CCCCC12CCc1cc(O)ccc1C2)C(F)(F)F
InChIInChI=1S/C16H18F3NO2/c17-16(18,19)14(22)20-8-2-1-6-15(20)7-5-11-9-13(21)4-3-12(11)10-15/h3-4,9,21H,1-2,5-8,10H2
InChIKeyWYDRMGRNGYIKDR-UHFFFAOYSA-N
XLogP3.19
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(7-hydroxyspiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine]-1'-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(7-hydroxyspiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine]-1'-yl)ethanone (CID 19045675) is 2,2,2-trifluoro-1-(7-hydroxyspiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine]-1'-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(7-hydroxyspiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine]-1'-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(7-hydroxyspiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine]-1'-yl)ethanone is O=C(N1CCCCC12CCc1cc(O)ccc1C2)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(7-hydroxyspiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine]-1'-yl)ethanone?
The InChIKey is WYDRMGRNGYIKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3NO2/c17-16(18,19)14(22)20-8-2-1-6-15(20)7-5-11-9-13(21)4-3-12(11)10-15/h3-4,9,21H,1-2,5-8,10H2.
What are the key properties of 2,2,2-trifluoro-1-(7-hydroxyspiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine]-1'-yl)ethanone?
2,2,2-trifluoro-1-(7-hydroxyspiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine]-1'-yl)ethanone has a molecular weight of 313.32 g/mol, XLogP of 3.19, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(7-hydroxyspiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine]-1'-yl)ethanone is sourced from PubChem (CID 19045675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).