1-[(E)-3-cyclopentylprop-2-enoxy]-4-(2-cyclopropylethoxy)-2,3-difluorobenzene

C19H24F2O2 — CID 153282281

IUPAC1-[(E)-3-cyclopentylprop-2-enoxy]-4-(2-cyclopropylethoxy)-2,3-difluorobenzene
SMILESFc1c(OC/C=C/C2CCCC2)ccc(OCCC2CC2)c1F
InChIInChI=1S/C19H24F2O2/c20-18-16(22-12-3-6-14-4-1-2-5-14)9-10-17(19(18)21)23-13-11-15-7-8-15/h3,6,9-10,14-15H,1-2,4-5,7-8,11-13H2/b6-3+
InChIKeyCLNTXPFOQZNDEM-ZZXKWVIFSA-N
MW322.40 g/mol
LogP5.27
Rot. Bonds8

About 1-[(E)-3-cyclopentylprop-2-enoxy]-4-(2-cyclopropylethoxy)-2,3-difluorobenzene

1-[(E)-3-cyclopentylprop-2-enoxy]-4-(2-cyclopropylethoxy)-2,3-difluorobenzene (PubChem CID 153282281) has the molecular formula C19H24F2O2 and a molecular weight of 322.40 g/mol. Its IUPAC name is 1-[(E)-3-cyclopentylprop-2-enoxy]-4-(2-cyclopropylethoxy)-2,3-difluorobenzene.

Molecular Properties

Compound Name1-[(E)-3-cyclopentylprop-2-enoxy]-4-(2-cyclopropylethoxy)-2,3-difluorobenzene
PubChem CID153282281
Molecular FormulaC19H24F2O2
Molecular Weight322.40 g/mol
Exact Mass322.17
IUPAC Name1-[(E)-3-cyclopentylprop-2-enoxy]-4-(2-cyclopropylethoxy)-2,3-difluorobenzene
SMILESFc1c(OC/C=C/C2CCCC2)ccc(OCCC2CC2)c1F
InChIInChI=1S/C19H24F2O2/c20-18-16(22-12-3-6-14-4-1-2-5-14)9-10-17(19(18)21)23-13-11-15-7-8-15/h3,6,9-10,14-15H,1-2,4-5,7-8,11-13H2/b6-3+
InChIKeyCLNTXPFOQZNDEM-ZZXKWVIFSA-N
XLogP5.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.40
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-cyclobutylpropoxy)-4-[(E)-3-cyclopentylprop-2-enoxy]-2,3-difluorobenzene
CID 153282625
1-[(E)-3-cyclobutylprop-2-enoxy]-4-(cyclopropylmethoxy)-2,3-difluorobenzene
CID 153282272
1-(2-cyclobutylethoxy)-4-[(E)-3-cyclopropylprop-2-enoxy]-3-fluoro-2-(trifluoromethoxy)benzene
CID 153282527
2,3-difluoro-1-[3-(4-pentylcyclohexyl)prop-2-enoxy]-4-propoxybenzene
CID 57031515
1-(2-cyclopropylethoxy)-4-[(E)-3-cyclopropylprop-2-enyl]-2,3-difluorobenzene
CID 153282371
1-ethoxy-2,3-difluoro-4-[(E)-3-[4-(4-propylcyclohexyl)cyclohexyl]prop-2-enoxy]benzene
CID 20816615
1-[(E)-3-cyclopentylprop-2-enoxy]-4-[(E)-3-cyclopropylprop-2-enoxy]-2-fluoro-3-(trifluoromethoxy)benzene
CID 148723204
1-[(E)-3-cyclobutylprop-2-enoxy]-4-[(E)-3-cyclopropylprop-2-enoxy]-3-fluoro-2-methylbenzene
CID 161461790
1-(2-cyclopropylethoxy)-4-[(E)-3-cyclopropylprop-2-enyl]-2-fluoro-3-methylbenzene
CID 159641659
2,3-difluoro-1-methoxy-4-[(E)-3-[4-(4-pentylcyclohexyl)cyclohexyl]prop-2-enoxy]benzene
CID 67863508
1-ethoxy-2,3-difluoro-4-[[4-(3-methoxyprop-1-enyl)cyclohexyl]methoxy]benzene
CID 67822338
1-(cyclobutylmethoxy)-4-[(E)-4-cyclopentylbut-3-enyl]-2,3-difluorobenzene;1-(cyclobutylmethoxy)-4-[(E)-2-cyclopentylethenyl]-2,3-difluorobenzene;1-(cyclobutylmethoxy)-4-[(E)-3-cyclopentylprop-2-enyl]-2,3-difluorobenzene;1-cyclobutyloxy-4-[(E)-4-cyclopentylbut-3-enyl]-2,3-difluorobenzene;1-cyclobutyloxy-4-[(E)-2-cyclopentylethenyl]-2,3-difluorobenzene;1-cyclobutyloxy-4-[(E)-3-cyclopentylprop-2-enyl]-2,3-difluorobenzene;1-[(E)-4-cyclopentylbut-3-enyl]-4-(2-cyclopropylethoxy)-2,3-difluorobenzene;1-[(E)-2-cyclopentylethenyl]-4-(2-cyclopropylethoxy)-2,3-difluorobenzene;1-[(E)-3-cyclopentylprop-2-enyl]-4-(2-cyclopropylethoxy)-2,3-difluorobenzene
CID 161240054

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-cyclopentylprop-2-enoxy]-4-(2-cyclopropylethoxy)-2,3-difluorobenzene?
The IUPAC name of 1-[(E)-3-cyclopentylprop-2-enoxy]-4-(2-cyclopropylethoxy)-2,3-difluorobenzene (CID 153282281) is 1-[(E)-3-cyclopentylprop-2-enoxy]-4-(2-cyclopropylethoxy)-2,3-difluorobenzene.
What is the SMILES notation for 1-[(E)-3-cyclopentylprop-2-enoxy]-4-(2-cyclopropylethoxy)-2,3-difluorobenzene?
The canonical SMILES for 1-[(E)-3-cyclopentylprop-2-enoxy]-4-(2-cyclopropylethoxy)-2,3-difluorobenzene is Fc1c(OC/C=C/C2CCCC2)ccc(OCCC2CC2)c1F.
What is the InChIKey of 1-[(E)-3-cyclopentylprop-2-enoxy]-4-(2-cyclopropylethoxy)-2,3-difluorobenzene?
The InChIKey is CLNTXPFOQZNDEM-ZZXKWVIFSA-N. The full InChI is InChI=1S/C19H24F2O2/c20-18-16(22-12-3-6-14-4-1-2-5-14)9-10-17(19(18)21)23-13-11-15-7-8-15/h3,6,9-10,14-15H,1-2,4-5,7-8,11-13H2/b6-3+.
What are the key properties of 1-[(E)-3-cyclopentylprop-2-enoxy]-4-(2-cyclopropylethoxy)-2,3-difluorobenzene?
1-[(E)-3-cyclopentylprop-2-enoxy]-4-(2-cyclopropylethoxy)-2,3-difluorobenzene has a molecular weight of 322.40 g/mol, XLogP of 5.27, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-cyclopentylprop-2-enoxy]-4-(2-cyclopropylethoxy)-2,3-difluorobenzene is sourced from PubChem (CID 153282281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).