6-(fluoromethyl)-2-(hydroxymethyl)-3-phenylmethoxypyran-4-one;6-(fluoromethyl)-4-oxo-3-phenylmethoxy-N-propan-2-ylpyran-2-carboxamide;6-(fluoromethyl)-4-oxo-3-phenylmethoxy-N-propan-2-yl-1H-pyridine-2-carboxamide;6-(fluoromethyl)-4-oxo-3-phenylmethoxypyran-2-carbaldehyde;6-(fluoromethyl)-4-oxo-3-phenylmethoxypyran-2-carboxylic acid

C76H72F5N3O20 — CID 157337433

IUPAC6-(fluoromethyl)-2-(hydroxymethyl)-3-phenylmethoxypyran-4-one;6-(fluoromethyl)-4-oxo-3-phenylmethoxy-N-propan-2-ylpyran-2-carboxamide;6-(fluoromethyl)-4-oxo-3-phenylmethoxy-N-propan-2-yl-1H-pyridine-2-carboxamide;6-(fluoromethyl)-4-oxo-3-phenylmethoxypyran-2-carbaldehyde;6-(fluoromethyl)-4-oxo-3-phenylmethoxypyran-2-carboxylic acid
SMILESCC(C)NC(=O)c1[nH]c(CF)cc(=O)c1OCc1ccccc1.CC(C)NC(=O)c1oc(CF)cc(=O)c1OCc1ccccc1.O=C(O)c1oc(CF)cc(=O)c1OCc1ccccc1.O=Cc1oc(CF)cc(=O)c1OCc1ccccc1.O=c1cc(CF)oc(CO)c1OCc1ccccc1
InChIInChI=1S/C17H19FN2O3.C17H18FNO4.C14H11FO5.C14H13FO4.C14H11FO4/c1-11(2)19-17(22)15-16(14(21)8-13(9-18)20-15)23-10-12-6-4-3-5-7-12;1-11(2)19-17(21)16-15(14(20)8-13(9-18)23-16)22-10-12-6-4-3-5-7-12;15-7-10-6-11(16)12(13(20-10)14(17)18)19-8-9-4-2-1-3-5-9;2*15-7-11-6-12(17)14(13(8-16)19-11)18-9-10-4-2-1-3-5-10/h3-8,11H,9-10H2,1-2H3,(H,19,22)(H,20,21);3-8,11H,9-10H2,1-2H3,(H,19,21);1-6H,7-8H2,(H,17,18);1-6,16H,7-9H2;1-6,8H,7,9H2
InChIKeyBFZPKWMVBWFGON-UHFFFAOYSA-N
MW1442.40 g/mol
LogP12.46
Rot. Bonds27

About 6-(fluoromethyl)-2-(hydroxymethyl)-3-phenylmethoxypyran-4-one;6-(fluoromethyl)-4-oxo-3-phenylmethoxy-N-propan-2-ylpyran-2-carboxamide;6-(fluoromethyl)-4-oxo-3-phenylmethoxy-N-propan-2-yl-1H-pyridine-2-carboxamide;6-(fluoromethyl)-4-oxo-3-phenylmethoxypyran-2-carbaldehyde;6-(fluoromethyl)-4-oxo-3-phenylmethoxypyran-2-carboxylic acid

6-(fluoromethyl)-2-(hydroxymethyl)-3-phenylmethoxypyran-4-one;6-(fluoromethyl)-4-oxo-3-phenylmethoxy-N-propan-2-ylpyran-2-carboxamide;6-(fluoromethyl)-4-oxo-3-phenylmethoxy-N-propan-2-yl-1H-pyridine-2-carboxamide;6-(fluoromethyl)-4-oxo-3-phenylmethoxypyran-2-carbaldehyde;6-(fluoromethyl)-4-oxo-3-phenylmethoxypyran-2-carboxylic acid (PubChem CID 157337433) has the molecular formula C76H72F5N3O20 and a molecular weight of 1442.40 g/mol. Its IUPAC name is 6-(fluoromethyl)-2-(hydroxymethyl)-3-phenylmethoxypyran-4-one;6-(fluoromethyl)-4-oxo-3-phenylmethoxy-N-propan-2-ylpyran-2-carboxamide;6-(fluoromethyl)-4-oxo-3-phenylmethoxy-N-propan-2-yl-1H-pyridine-2-carboxamide;6-(fluoromethyl)-4-oxo-3-phenylmethoxypyran-2-carbaldehyde;6-(fluoromethyl)-4-oxo-3-phenylmethoxypyran-2-carboxylic acid.

Molecular Properties

Compound Name6-(fluoromethyl)-2-(hydroxymethyl)-3-phenylmethoxypyran-4-one;6-(fluoromethyl)-4-oxo-3-phenylmethoxy-N-propan-2-ylpyran-2-carboxamide;6-(fluoromethyl)-4-oxo-3-phenylmethoxy-N-propan-2-yl-1H-pyridine-2-carboxamide;6-(fluoromethyl)-4-oxo-3-phenylmethoxypyran-2-carbaldehyde;6-(fluoromethyl)-4-oxo-3-phenylmethoxypyran-2-carboxylic acid
PubChem CID157337433
Molecular FormulaC76H72F5N3O20
Molecular Weight1442.40 g/mol
Exact Mass1441.46
IUPAC Name6-(fluoromethyl)-2-(hydroxymethyl)-3-phenylmethoxypyran-4-one;6-(fluoromethyl)-4-oxo-3-phenylmethoxy-N-propan-2-ylpyran-2-carboxamide;6-(fluoromethyl)-4-oxo-3-phenylmethoxy-N-propan-2-yl-1H-pyridine-2-carboxamide;6-(fluoromethyl)-4-oxo-3-phenylmethoxypyran-2-carbaldehyde;6-(fluoromethyl)-4-oxo-3-phenylmethoxypyran-2-carboxylic acid
SMILESCC(C)NC(=O)c1[nH]c(CF)cc(=O)c1OCc1ccccc1.CC(C)NC(=O)c1oc(CF)cc(=O)c1OCc1ccccc1.O=C(O)c1oc(CF)cc(=O)c1OCc1ccccc1.O=Cc1oc(CF)cc(=O)c1OCc1ccccc1.O=c1cc(CF)oc(CO)c1OCc1ccccc1
InChIInChI=1S/C17H19FN2O3.C17H18FNO4.C14H11FO5.C14H13FO4.C14H11FO4/c1-11(2)19-17(22)15-16(14(21)8-13(9-18)20-15)23-10-12-6-4-3-5-7-12;1-11(2)19-17(21)16-15(14(20)8-13(9-18)23-16)22-10-12-6-4-3-5-7-12;15-7-10-6-11(16)12(13(20-10)14(17)18)19-8-9-4-2-1-3-5-9;2*15-7-11-6-12(17)14(13(8-16)19-11)18-9-10-4-2-1-3-5-10/h3-8,11H,9-10H2,1-2H3,(H,19,22)(H,20,21);3-8,11H,9-10H2,1-2H3,(H,19,21);1-6H,7-8H2,(H,17,18);1-6,16H,7-9H2;1-6,8H,7,9H2
InChIKeyBFZPKWMVBWFGON-UHFFFAOYSA-N
XLogP12.46
TPSA332.65 Ų
H-Bond Donors5
H-Bond Acceptors19
Rotatable Bonds27
Heavy Atoms104
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001442.40
LogP ≤ 512.46
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 6-(fluoromethyl)-2-(hydroxymethyl)-3-phenylmethoxypyran-4-one;6-(fluoromethyl)-4-oxo-3-phenylmethoxy-N-propan-2-ylpyran-2-carboxamide;6-(fluoromethyl)-4-oxo-3-phenylmethoxy-N-propan-2-yl-1H-pyridine-2-carboxamide;6-(fluoromethyl)-4-oxo-3-phenylmethoxypyran-2-carbaldehyde;6-(fluoromethyl)-4-oxo-3-phenylmethoxypyran-2-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-3-phenylmethoxy-N-propan-2-ylpyran-2-carboxamide
CID 88612540
2,6-bis(hydroxymethyl)-3-phenylmethoxypyran-4-one
CID 18428308
6-methyl-4-oxo-3-phenylmethoxypyran-2-carbaldehyde
CID 12011187
6-(oxan-2-yloxymethyl)-4-oxo-3-phenylmethoxy-N-propan-2-ylpyran-2-carboxamide
CID 134575760
6-(difluoromethyl)-2-(hydroxymethyl)-3-phenylmethoxypyran-4-one
CID 145480651
2-butanoyl-6-ethyl-3-phenylmethoxy-1H-pyridin-4-one
CID 159751274
CID 87151849
CID 87151849
6-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-oxo-5-phenylmethoxypyran-2-carboxylic acid;methyl 6-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-5-hydroxy-4-oxopyran-2-carboxylate;methyl 6-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-oxo-5-phenylmethoxypyran-2-carboxylate
CID 162038611
6-methyl-N-naphthalen-1-yl-4-oxo-3-phenylmethoxypyran-2-carboxamide
CID 44593096
2-(3-methylbutanoyl)-6-(oxan-2-yloxymethyl)-3-phenylmethoxy-1H-pyridin-4-one
CID 158067897
sodium;3-hydroxy-2-methylpyran-4-one;2-methyl-3-phenylmethoxypyran-4-one;4-oxo-3-phenylmethoxypyran-2-carbaldehyde;4-oxo-3-phenylmethoxypyran-2-carboxylic acid;selenium dioxide;chlorite
CID 158920657
chloro-[2-(hydroxymethyl)-4-oxo-6-(phenylmethoxymethyl)pyran-3-yl]oxylead
CID 143480829

Frequently Asked Questions

What is the IUPAC name of 6-(fluoromethyl)-2-(hydroxymethyl)-3-phenylmethoxypyran-4-one;6-(fluoromethyl)-4-oxo-3-phenylmethoxy-N-propan-2-ylpyran-2-carboxamide;6-(fluoromethyl)-4-oxo-3-phenylmethoxy-N-propan-2-yl-1H-pyridine-2-carboxamide;6-(fluoromethyl)-4-oxo-3-phenylmethoxypyran-2-carbaldehyde;6-(fluoromethyl)-4-oxo-3-phenylmethoxypyran-2-carboxylic acid?
The IUPAC name of 6-(fluoromethyl)-2-(hydroxymethyl)-3-phenylmethoxypyran-4-one;6-(fluoromethyl)-4-oxo-3-phenylmethoxy-N-propan-2-ylpyran-2-carboxamide;6-(fluoromethyl)-4-oxo-3-phenylmethoxy-N-propan-2-yl-1H-pyridine-2-carboxamide;6-(fluoromethyl)-4-oxo-3-phenylmethoxypyran-2-carbaldehyde;6-(fluoromethyl)-4-oxo-3-phenylmethoxypyran-2-carboxylic acid (CID 157337433) is 6-(fluoromethyl)-2-(hydroxymethyl)-3-phenylmethoxypyran-4-one;6-(fluoromethyl)-4-oxo-3-phenylmethoxy-N-propan-2-ylpyran-2-carboxamide;6-(fluoromethyl)-4-oxo-3-phenylmethoxy-N-propan-2-yl-1H-pyridine-2-carboxamide;6-(fluoromethyl)-4-oxo-3-phenylmethoxypyran-2-carbaldehyde;6-(fluoromethyl)-4-oxo-3-phenylmethoxypyran-2-carboxylic acid.
What is the SMILES notation for 6-(fluoromethyl)-2-(hydroxymethyl)-3-phenylmethoxypyran-4-one;6-(fluoromethyl)-4-oxo-3-phenylmethoxy-N-propan-2-ylpyran-2-carboxamide;6-(fluoromethyl)-4-oxo-3-phenylmethoxy-N-propan-2-yl-1H-pyridine-2-carboxamide;6-(fluoromethyl)-4-oxo-3-phenylmethoxypyran-2-carbaldehyde;6-(fluoromethyl)-4-oxo-3-phenylmethoxypyran-2-carboxylic acid?
The canonical SMILES for 6-(fluoromethyl)-2-(hydroxymethyl)-3-phenylmethoxypyran-4-one;6-(fluoromethyl)-4-oxo-3-phenylmethoxy-N-propan-2-ylpyran-2-carboxamide;6-(fluoromethyl)-4-oxo-3-phenylmethoxy-N-propan-2-yl-1H-pyridine-2-carboxamide;6-(fluoromethyl)-4-oxo-3-phenylmethoxypyran-2-carbaldehyde;6-(fluoromethyl)-4-oxo-3-phenylmethoxypyran-2-carboxylic acid is CC(C)NC(=O)c1[nH]c(CF)cc(=O)c1OCc1ccccc1.CC(C)NC(=O)c1oc(CF)cc(=O)c1OCc1ccccc1.O=C(O)c1oc(CF)cc(=O)c1OCc1ccccc1.O=Cc1oc(CF)cc(=O)c1OCc1ccccc1.O=c1cc(CF)oc(CO)c1OCc1ccccc1.
What is the InChIKey of 6-(fluoromethyl)-2-(hydroxymethyl)-3-phenylmethoxypyran-4-one;6-(fluoromethyl)-4-oxo-3-phenylmethoxy-N-propan-2-ylpyran-2-carboxamide;6-(fluoromethyl)-4-oxo-3-phenylmethoxy-N-propan-2-yl-1H-pyridine-2-carboxamide;6-(fluoromethyl)-4-oxo-3-phenylmethoxypyran-2-carbaldehyde;6-(fluoromethyl)-4-oxo-3-phenylmethoxypyran-2-carboxylic acid?
The InChIKey is BFZPKWMVBWFGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O3.C17H18FNO4.C14H11FO5.C14H13FO4.C14H11FO4/c1-11(2)19-17(22)15-16(14(21)8-13(9-18)20-15)23-10-12-6-4-3-5-7-12;1-11(2)19-17(21)16-15(14(20)8-13(9-18)23-16)22-10-12-6-4-3-5-7-12;15-7-10-6-11(16)12(13(20-10)14(17)18)19-8-9-4-2-1-3-5-9;2*15-7-11-6-12(17)14(13(8-16)19-11)18-9-10-4-2-1-3-5-10/h3-8,11H,9-10H2,1-2H3,(H,19,22)(H,20,21);3-8,11H,9-10H2,1-2H3,(H,19,21);1-6H,7-8H2,(H,17,18);1-6,16H,7-9H2;1-6,8H,7,9H2.
What are the key properties of 6-(fluoromethyl)-2-(hydroxymethyl)-3-phenylmethoxypyran-4-one;6-(fluoromethyl)-4-oxo-3-phenylmethoxy-N-propan-2-ylpyran-2-carboxamide;6-(fluoromethyl)-4-oxo-3-phenylmethoxy-N-propan-2-yl-1H-pyridine-2-carboxamide;6-(fluoromethyl)-4-oxo-3-phenylmethoxypyran-2-carbaldehyde;6-(fluoromethyl)-4-oxo-3-phenylmethoxypyran-2-carboxylic acid?
6-(fluoromethyl)-2-(hydroxymethyl)-3-phenylmethoxypyran-4-one;6-(fluoromethyl)-4-oxo-3-phenylmethoxy-N-propan-2-ylpyran-2-carboxamide;6-(fluoromethyl)-4-oxo-3-phenylmethoxy-N-propan-2-yl-1H-pyridine-2-carboxamide;6-(fluoromethyl)-4-oxo-3-phenylmethoxypyran-2-carbaldehyde;6-(fluoromethyl)-4-oxo-3-phenylmethoxypyran-2-carboxylic acid has a molecular weight of 1442.40 g/mol, XLogP of 12.46, 27 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(fluoromethyl)-2-(hydroxymethyl)-3-phenylmethoxypyran-4-one;6-(fluoromethyl)-4-oxo-3-phenylmethoxy-N-propan-2-ylpyran-2-carboxamide;6-(fluoromethyl)-4-oxo-3-phenylmethoxy-N-propan-2-yl-1H-pyridine-2-carboxamide;6-(fluoromethyl)-4-oxo-3-phenylmethoxypyran-2-carbaldehyde;6-(fluoromethyl)-4-oxo-3-phenylmethoxypyran-2-carboxylic acid is sourced from PubChem (CID 157337433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).