1-cyclopentyloxy-5-[2-(2,6-difluorophenyl)ethenyl]-4-fluoro-2-methoxybenzene

C20H19F3O2 — CID 54123173

IUPAC1-cyclopentyloxy-5-[2-(2,6-difluorophenyl)ethenyl]-4-fluoro-2-methoxybenzene
SMILESCOc1cc(F)c(C=Cc2c(F)cccc2F)cc1OC1CCCC1
InChIInChI=1S/C20H19F3O2/c1-24-19-12-18(23)13(11-20(19)25-14-5-2-3-6-14)9-10-15-16(21)7-4-8-17(15)22/h4,7-12,14H,2-3,5-6H2,1H3
InChIKeyNPDJVBYHXWFFAO-UHFFFAOYSA-N
MW348.36 g/mol
LogP5.60
Rot. Bonds5

About 1-cyclopentyloxy-5-[2-(2,6-difluorophenyl)ethenyl]-4-fluoro-2-methoxybenzene

1-cyclopentyloxy-5-[2-(2,6-difluorophenyl)ethenyl]-4-fluoro-2-methoxybenzene (PubChem CID 54123173) has the molecular formula C20H19F3O2 and a molecular weight of 348.36 g/mol. Its IUPAC name is 1-cyclopentyloxy-5-[2-(2,6-difluorophenyl)ethenyl]-4-fluoro-2-methoxybenzene.

Molecular Properties

Compound Name1-cyclopentyloxy-5-[2-(2,6-difluorophenyl)ethenyl]-4-fluoro-2-methoxybenzene
PubChem CID54123173
Molecular FormulaC20H19F3O2
Molecular Weight348.36 g/mol
Exact Mass348.13
IUPAC Name1-cyclopentyloxy-5-[2-(2,6-difluorophenyl)ethenyl]-4-fluoro-2-methoxybenzene
SMILESCOc1cc(F)c(C=Cc2c(F)cccc2F)cc1OC1CCCC1
InChIInChI=1S/C20H19F3O2/c1-24-19-12-18(23)13(11-20(19)25-14-5-2-3-6-14)9-10-15-16(21)7-4-8-17(15)22/h4,7-12,14H,2-3,5-6H2,1H3
InChIKeyNPDJVBYHXWFFAO-UHFFFAOYSA-N
XLogP5.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.36
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyloxy-5-[2-(2,6-difluorophenyl)ethenyl]-4-fluoro-2-methoxybenzene?
The IUPAC name of 1-cyclopentyloxy-5-[2-(2,6-difluorophenyl)ethenyl]-4-fluoro-2-methoxybenzene (CID 54123173) is 1-cyclopentyloxy-5-[2-(2,6-difluorophenyl)ethenyl]-4-fluoro-2-methoxybenzene.
What is the SMILES notation for 1-cyclopentyloxy-5-[2-(2,6-difluorophenyl)ethenyl]-4-fluoro-2-methoxybenzene?
The canonical SMILES for 1-cyclopentyloxy-5-[2-(2,6-difluorophenyl)ethenyl]-4-fluoro-2-methoxybenzene is COc1cc(F)c(C=Cc2c(F)cccc2F)cc1OC1CCCC1.
What is the InChIKey of 1-cyclopentyloxy-5-[2-(2,6-difluorophenyl)ethenyl]-4-fluoro-2-methoxybenzene?
The InChIKey is NPDJVBYHXWFFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3O2/c1-24-19-12-18(23)13(11-20(19)25-14-5-2-3-6-14)9-10-15-16(21)7-4-8-17(15)22/h4,7-12,14H,2-3,5-6H2,1H3.
What are the key properties of 1-cyclopentyloxy-5-[2-(2,6-difluorophenyl)ethenyl]-4-fluoro-2-methoxybenzene?
1-cyclopentyloxy-5-[2-(2,6-difluorophenyl)ethenyl]-4-fluoro-2-methoxybenzene has a molecular weight of 348.36 g/mol, XLogP of 5.60, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyloxy-5-[2-(2,6-difluorophenyl)ethenyl]-4-fluoro-2-methoxybenzene is sourced from PubChem (CID 54123173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).