5-[2-(4-ethoxy-2,3-difluorophenyl)-1,2-difluoroethenyl]-2-pentyl-3,4-dihydro-2H-pyran

C20H24F4O2 — CID 123497163

IUPAC5-[2-(4-ethoxy-2,3-difluorophenyl)-1,2-difluoroethenyl]-2-pentyl-3,4-dihydro-2H-pyran
SMILESCCCCCC1CCC(C(F)=C(F)c2ccc(OCC)c(F)c2F)=CO1
InChIInChI=1S/C20H24F4O2/c1-3-5-6-7-14-9-8-13(12-26-14)17(21)18(22)15-10-11-16(25-4-2)20(24)19(15)23/h10-12,14H,3-9H2,1-2H3
InChIKeyIXUYERPVWDHCCF-UHFFFAOYSA-N
MW372.40 g/mol
LogP6.61
Rot. Bonds8

About 5-[2-(4-ethoxy-2,3-difluorophenyl)-1,2-difluoroethenyl]-2-pentyl-3,4-dihydro-2H-pyran

5-[2-(4-ethoxy-2,3-difluorophenyl)-1,2-difluoroethenyl]-2-pentyl-3,4-dihydro-2H-pyran (PubChem CID 123497163) has the molecular formula C20H24F4O2 and a molecular weight of 372.40 g/mol. Its IUPAC name is 5-[2-(4-ethoxy-2,3-difluorophenyl)-1,2-difluoroethenyl]-2-pentyl-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name5-[2-(4-ethoxy-2,3-difluorophenyl)-1,2-difluoroethenyl]-2-pentyl-3,4-dihydro-2H-pyran
PubChem CID123497163
Molecular FormulaC20H24F4O2
Molecular Weight372.40 g/mol
Exact Mass372.17
IUPAC Name5-[2-(4-ethoxy-2,3-difluorophenyl)-1,2-difluoroethenyl]-2-pentyl-3,4-dihydro-2H-pyran
SMILESCCCCCC1CCC(C(F)=C(F)c2ccc(OCC)c(F)c2F)=CO1
InChIInChI=1S/C20H24F4O2/c1-3-5-6-7-14-9-8-13(12-26-14)17(21)18(22)15-10-11-16(25-4-2)20(24)19(15)23/h10-12,14H,3-9H2,1-2H3
InChIKeyIXUYERPVWDHCCF-UHFFFAOYSA-N
XLogP6.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.40
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[(E)-1,2-difluoro-2-(4-fluorophenyl)ethenyl]-2-pentyl-3,4-dihydro-2H-pyran
CID 118358989
1-(4-ethoxy-3-fluoro-2-methylphenyl)-4-(5-pentyloxan-2-yl)butan-1-one
CID 118283673
[4-ethoxy-2-fluoro-3-(trifluoromethyl)phenyl] 2,3-difluoro-4-(2-propyl-3,4-dihydro-2H-pyran-5-yl)benzoate
CID 118359201
5-[4-[(4-ethoxy-2,3-difluorophenoxy)-difluoromethyl]-2,3-difluorophenyl]-2-propyl-3,4-dihydro-2H-pyran
CID 118359194
1-(4-butylphenyl)-4-[(E)-2-(4-ethoxy-2,3-difluorophenyl)-1,2-difluoroethenyl]naphthalene
CID 70935174
1-ethoxy-2,3-difluoro-4-[1-fluoro-2-(4-propylcyclohexyl)ethenyl]benzene
CID 67992192
1-(4-butylcyclohexyl)-4-ethoxy-2,3-difluorobenzene
CID 53418384
2,3-difluoro-1-hexoxy-4-[(4-pentylcyclohexyl)methoxy]benzene
CID 19103474
1-butyl-4-[(4-ethoxy-2,3-difluorophenoxy)methyl]-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 71001073
7,8-difluoro-2-pentyl-6-[(4-pentylcyclohexyl)methoxy]-3,4-dihydro-2H-chromene
CID 102471063
(4-ethoxy-2,3-difluorophenyl) 4-butylcyclohexane-1-carboxylate;(4-ethoxy-2,3-difluorophenyl) 4-ethylcyclohexane-1-carboxylate
CID 158417917
(2,3-difluoro-4-pentoxyphenyl)-(4-methylcyclohexyl)methanone
CID 169027201

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-ethoxy-2,3-difluorophenyl)-1,2-difluoroethenyl]-2-pentyl-3,4-dihydro-2H-pyran?
The IUPAC name of 5-[2-(4-ethoxy-2,3-difluorophenyl)-1,2-difluoroethenyl]-2-pentyl-3,4-dihydro-2H-pyran (CID 123497163) is 5-[2-(4-ethoxy-2,3-difluorophenyl)-1,2-difluoroethenyl]-2-pentyl-3,4-dihydro-2H-pyran.
What is the SMILES notation for 5-[2-(4-ethoxy-2,3-difluorophenyl)-1,2-difluoroethenyl]-2-pentyl-3,4-dihydro-2H-pyran?
The canonical SMILES for 5-[2-(4-ethoxy-2,3-difluorophenyl)-1,2-difluoroethenyl]-2-pentyl-3,4-dihydro-2H-pyran is CCCCCC1CCC(C(F)=C(F)c2ccc(OCC)c(F)c2F)=CO1.
What is the InChIKey of 5-[2-(4-ethoxy-2,3-difluorophenyl)-1,2-difluoroethenyl]-2-pentyl-3,4-dihydro-2H-pyran?
The InChIKey is IXUYERPVWDHCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F4O2/c1-3-5-6-7-14-9-8-13(12-26-14)17(21)18(22)15-10-11-16(25-4-2)20(24)19(15)23/h10-12,14H,3-9H2,1-2H3.
What are the key properties of 5-[2-(4-ethoxy-2,3-difluorophenyl)-1,2-difluoroethenyl]-2-pentyl-3,4-dihydro-2H-pyran?
5-[2-(4-ethoxy-2,3-difluorophenyl)-1,2-difluoroethenyl]-2-pentyl-3,4-dihydro-2H-pyran has a molecular weight of 372.40 g/mol, XLogP of 6.61, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-ethoxy-2,3-difluorophenyl)-1,2-difluoroethenyl]-2-pentyl-3,4-dihydro-2H-pyran is sourced from PubChem (CID 123497163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).