(3,4-difluorophenyl)-spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-ylmethanone

C19H17F2NO3 — CID 126474186

IUPAC(3,4-difluorophenyl)-spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-ylmethanone
SMILESO=C(c1ccc(F)c(F)c1)N1CCC2(CC1)OCc1ccccc1O2
InChIInChI=1S/C19H17F2NO3/c20-15-6-5-13(11-16(15)21)18(23)22-9-7-19(8-10-22)24-12-14-3-1-2-4-17(14)25-19/h1-6,11H,7-10,12H2
InChIKeyHFEQWTDANMAVIM-UHFFFAOYSA-N
MW345.35 g/mol
LogP3.51
Rot. Bonds1

About (3,4-difluorophenyl)-spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-ylmethanone

(3,4-difluorophenyl)-spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-ylmethanone (PubChem CID 126474186) has the molecular formula C19H17F2NO3 and a molecular weight of 345.35 g/mol. Its IUPAC name is (3,4-difluorophenyl)-spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-ylmethanone.

Molecular Properties

Compound Name(3,4-difluorophenyl)-spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-ylmethanone
PubChem CID126474186
Molecular FormulaC19H17F2NO3
Molecular Weight345.35 g/mol
Exact Mass345.12
IUPAC Name(3,4-difluorophenyl)-spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-ylmethanone
SMILESO=C(c1ccc(F)c(F)c1)N1CCC2(CC1)OCc1ccccc1O2
InChIInChI=1S/C19H17F2NO3/c20-15-6-5-13(11-16(15)21)18(23)22-9-7-19(8-10-22)24-12-14-3-1-2-4-17(14)25-19/h1-6,11H,7-10,12H2
InChIKeyHFEQWTDANMAVIM-UHFFFAOYSA-N
XLogP3.51
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-fluoro-3-methylphenyl)-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone
CID 154839329
(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-7-yl)-pyrrolidin-1-ylmethanone
CID 58199416
[1-(3,4-difluorobenzoyl)azetidin-3-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 52907494
1-(6-chlorospiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl)-2-phenylethanone
CID 126471832
(3,4-difluorophenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 115304505
(3,4-dimethylphenyl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone
CID 90565592
3-(3,4-dimethoxyphenyl)-1-spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-ylpropan-1-one
CID 126474746
(3,4-difluorophenyl)-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]methanone
CID 110815197
[6-(furan-2-yl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl]-(3-methoxyphenyl)methanone
CID 126472439
1-methyl-4-(spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carbonyl)pyridin-2-one
CID 136554118
(3,4-difluorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 110721410
(3,4-difluorophenyl)-[4-(2,6-difluorophenyl)piperazin-1-yl]methanone
CID 113081265

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-ylmethanone?
The IUPAC name of (3,4-difluorophenyl)-spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-ylmethanone (CID 126474186) is (3,4-difluorophenyl)-spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-ylmethanone.
What is the SMILES notation for (3,4-difluorophenyl)-spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-ylmethanone?
The canonical SMILES for (3,4-difluorophenyl)-spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-ylmethanone is O=C(c1ccc(F)c(F)c1)N1CCC2(CC1)OCc1ccccc1O2.
What is the InChIKey of (3,4-difluorophenyl)-spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-ylmethanone?
The InChIKey is HFEQWTDANMAVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2NO3/c20-15-6-5-13(11-16(15)21)18(23)22-9-7-19(8-10-22)24-12-14-3-1-2-4-17(14)25-19/h1-6,11H,7-10,12H2.
What are the key properties of (3,4-difluorophenyl)-spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-ylmethanone?
(3,4-difluorophenyl)-spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-ylmethanone has a molecular weight of 345.35 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-ylmethanone is sourced from PubChem (CID 126474186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).