1'-(3,4-difluorobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one

C20H17F2NO3 — CID 7260543

IUPAC1'-(3,4-difluorobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESO=C1CC2(CCN(C(=O)c3ccc(F)c(F)c3)CC2)Oc2ccccc21
InChIInChI=1S/C20H17F2NO3/c21-15-6-5-13(11-16(15)22)19(25)23-9-7-20(8-10-23)12-17(24)14-3-1-2-4-18(14)26-20/h1-6,11H,7-10,12H2
InChIKeySYQCTPBPSCROKH-UHFFFAOYSA-N
MW357.36 g/mol
LogP3.61
Rot. Bonds1

About 1'-(3,4-difluorobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one

1'-(3,4-difluorobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 7260543) has the molecular formula C20H17F2NO3 and a molecular weight of 357.36 g/mol. Its IUPAC name is 1'-(3,4-difluorobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-(3,4-difluorobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID7260543
Molecular FormulaC20H17F2NO3
Molecular Weight357.36 g/mol
Exact Mass357.12
IUPAC Name1'-(3,4-difluorobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESO=C1CC2(CCN(C(=O)c3ccc(F)c(F)c3)CC2)Oc2ccccc21
InChIInChI=1S/C20H17F2NO3/c21-15-6-5-13(11-16(15)22)19(25)23-9-7-20(8-10-23)12-17(24)14-3-1-2-4-18(14)26-20/h1-6,11H,7-10,12H2
InChIKeySYQCTPBPSCROKH-UHFFFAOYSA-N
XLogP3.61
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-(3,4-difluorobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 1'-(3,4-difluorobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one (CID 7260543) is 1'-(3,4-difluorobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-(3,4-difluorobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-(3,4-difluorobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one is O=C1CC2(CCN(C(=O)c3ccc(F)c(F)c3)CC2)Oc2ccccc21.
What is the InChIKey of 1'-(3,4-difluorobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is SYQCTPBPSCROKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2NO3/c21-15-6-5-13(11-16(15)22)19(25)23-9-7-20(8-10-23)12-17(24)14-3-1-2-4-18(14)26-20/h1-6,11H,7-10,12H2.
What are the key properties of 1'-(3,4-difluorobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
1'-(3,4-difluorobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 357.36 g/mol, XLogP of 3.61, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(3,4-difluorobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 7260543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).