ethyl 3-(4-fluorophenyl)-3-hydroxy-2-[[6-(1,1,2,2-tetrafluoroethoxy)-2-pyridinyl]methyl]propanoate

C19H18F5NO4 — CID 86593262

IUPACethyl 3-(4-fluorophenyl)-3-hydroxy-2-[[6-(1,1,2,2-tetrafluoroethoxy)-2-pyridinyl]methyl]propanoate
SMILESCCOC(=O)C(Cc1cccc(OC(F)(F)C(F)F)n1)C(O)c1ccc(F)cc1
InChIInChI=1S/C19H18F5NO4/c1-2-28-17(27)14(16(26)11-6-8-12(20)9-7-11)10-13-4-3-5-15(25-13)29-19(23,24)18(21)22/h3-9,14,16,18,26H,2,10H2,1H3
InChIKeyFGMXHYGKRCQXBN-UHFFFAOYSA-N
MW419.35 g/mol
LogP3.91
Rot. Bonds9

About ethyl 3-(4-fluorophenyl)-3-hydroxy-2-[[6-(1,1,2,2-tetrafluoroethoxy)-2-pyridinyl]methyl]propanoate

ethyl 3-(4-fluorophenyl)-3-hydroxy-2-[[6-(1,1,2,2-tetrafluoroethoxy)-2-pyridinyl]methyl]propanoate (PubChem CID 86593262) has the molecular formula C19H18F5NO4 and a molecular weight of 419.35 g/mol. Its IUPAC name is ethyl 3-(4-fluorophenyl)-3-hydroxy-2-[[6-(1,1,2,2-tetrafluoroethoxy)-2-pyridinyl]methyl]propanoate.

Molecular Properties

Compound Nameethyl 3-(4-fluorophenyl)-3-hydroxy-2-[[6-(1,1,2,2-tetrafluoroethoxy)-2-pyridinyl]methyl]propanoate
PubChem CID86593262
Molecular FormulaC19H18F5NO4
Molecular Weight419.35 g/mol
Exact Mass419.12
IUPAC Nameethyl 3-(4-fluorophenyl)-3-hydroxy-2-[[6-(1,1,2,2-tetrafluoroethoxy)-2-pyridinyl]methyl]propanoate
SMILESCCOC(=O)C(Cc1cccc(OC(F)(F)C(F)F)n1)C(O)c1ccc(F)cc1
InChIInChI=1S/C19H18F5NO4/c1-2-28-17(27)14(16(26)11-6-8-12(20)9-7-11)10-13-4-3-5-15(25-13)29-19(23,24)18(21)22/h3-9,14,16,18,26H,2,10H2,1H3
InChIKeyFGMXHYGKRCQXBN-UHFFFAOYSA-N
XLogP3.91
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.35
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 3-(4-fluorophenyl)-3-hydroxy-2-[[6-(1,1,2,2-tetrafluoroethoxy)-2-pyridinyl]methyl]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Picoxystrobin
CID 11285653
Metabolite 4 of Picoxystrobin
CID 14255373
Picoxystrobin metabolite M8
CID 138394697
Picoxystrobin metabolite 12
CID 138394699
Picoxystrobin metabolite 2
CID 139597010
6-(4,6-Diphenyl-pyridin-2-yloxy)-2-methyl-hexanoic acid
CID 9976757
6-[4-(2-Fluoro-phenyl)-6-phenyl-pyridin-2-yloxy]-hexanoic acid
CID 9999755
2,2-Dimethyl-6-[(4,6-diphenyl-2-pyridyl)oxy]hexanoic acid
CID 10023244
6-[4-(4-Methoxy-phenyl)-6-phenyl-pyridin-2-yloxy]-2-methyl-hexanoic acid
CID 10046878
6-[6-Phenyl-4-(4-trifluoromethyl-phenyl)-pyridin-2-yloxy]-hexanoic acid
CID 10071290
2-Methyl-6-(6-phenyl-4-p-tolyl-pyridin-2-yloxy)-hexanoic acid
CID 10091738
8-(4,6-Diphenyl-pyridin-2-yloxy)-2,2-dimethyl-octanoic acid
CID 10319829

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-fluorophenyl)-3-hydroxy-2-[[6-(1,1,2,2-tetrafluoroethoxy)-2-pyridinyl]methyl]propanoate?
The IUPAC name of ethyl 3-(4-fluorophenyl)-3-hydroxy-2-[[6-(1,1,2,2-tetrafluoroethoxy)-2-pyridinyl]methyl]propanoate (CID 86593262) is ethyl 3-(4-fluorophenyl)-3-hydroxy-2-[[6-(1,1,2,2-tetrafluoroethoxy)-2-pyridinyl]methyl]propanoate.
What is the SMILES notation for ethyl 3-(4-fluorophenyl)-3-hydroxy-2-[[6-(1,1,2,2-tetrafluoroethoxy)-2-pyridinyl]methyl]propanoate?
The canonical SMILES for ethyl 3-(4-fluorophenyl)-3-hydroxy-2-[[6-(1,1,2,2-tetrafluoroethoxy)-2-pyridinyl]methyl]propanoate is CCOC(=O)C(Cc1cccc(OC(F)(F)C(F)F)n1)C(O)c1ccc(F)cc1.
What is the InChIKey of ethyl 3-(4-fluorophenyl)-3-hydroxy-2-[[6-(1,1,2,2-tetrafluoroethoxy)-2-pyridinyl]methyl]propanoate?
The InChIKey is FGMXHYGKRCQXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F5NO4/c1-2-28-17(27)14(16(26)11-6-8-12(20)9-7-11)10-13-4-3-5-15(25-13)29-19(23,24)18(21)22/h3-9,14,16,18,26H,2,10H2,1H3.
What are the key properties of ethyl 3-(4-fluorophenyl)-3-hydroxy-2-[[6-(1,1,2,2-tetrafluoroethoxy)-2-pyridinyl]methyl]propanoate?
ethyl 3-(4-fluorophenyl)-3-hydroxy-2-[[6-(1,1,2,2-tetrafluoroethoxy)-2-pyridinyl]methyl]propanoate has a molecular weight of 419.35 g/mol, XLogP of 3.91, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-fluorophenyl)-3-hydroxy-2-[[6-(1,1,2,2-tetrafluoroethoxy)-2-pyridinyl]methyl]propanoate is sourced from PubChem (CID 86593262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).