1-(2-cyclopropylethoxy)-4-[(E)-3-cyclopropylprop-2-enyl]-2,3-difluorobenzene

C17H20F2O — CID 153282371

IUPAC1-(2-cyclopropylethoxy)-4-[(E)-3-cyclopropylprop-2-enyl]-2,3-difluorobenzene
SMILESFc1c(C/C=C/C2CC2)ccc(OCCC2CC2)c1F
InChIInChI=1S/C17H20F2O/c18-16-14(3-1-2-12-4-5-12)8-9-15(17(16)19)20-11-10-13-6-7-13/h1-2,8-9,12-13H,3-7,10-11H2/b2-1+
InChIKeyGZIXMQXSMOTOAX-OWOJBTEDSA-N
MW278.34 g/mol
LogP4.65
Rot. Bonds7

About 1-(2-cyclopropylethoxy)-4-[(E)-3-cyclopropylprop-2-enyl]-2,3-difluorobenzene

1-(2-cyclopropylethoxy)-4-[(E)-3-cyclopropylprop-2-enyl]-2,3-difluorobenzene (PubChem CID 153282371) has the molecular formula C17H20F2O and a molecular weight of 278.34 g/mol. Its IUPAC name is 1-(2-cyclopropylethoxy)-4-[(E)-3-cyclopropylprop-2-enyl]-2,3-difluorobenzene.

Molecular Properties

Compound Name1-(2-cyclopropylethoxy)-4-[(E)-3-cyclopropylprop-2-enyl]-2,3-difluorobenzene
PubChem CID153282371
Molecular FormulaC17H20F2O
Molecular Weight278.34 g/mol
Exact Mass278.15
IUPAC Name1-(2-cyclopropylethoxy)-4-[(E)-3-cyclopropylprop-2-enyl]-2,3-difluorobenzene
SMILESFc1c(C/C=C/C2CC2)ccc(OCCC2CC2)c1F
InChIInChI=1S/C17H20F2O/c18-16-14(3-1-2-12-4-5-12)8-9-15(17(16)19)20-11-10-13-6-7-13/h1-2,8-9,12-13H,3-7,10-11H2/b2-1+
InChIKeyGZIXMQXSMOTOAX-OWOJBTEDSA-N
XLogP4.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-cyclopropylethoxy)-4-[(E)-3-cyclopropylprop-2-enyl]-2-fluoro-3-methylbenzene
CID 159641659
1-[(E)-3-cyclopentylprop-2-enoxy]-4-(2-cyclopropylethoxy)-2,3-difluorobenzene
CID 153282281
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
2,3-difluoro-1-[3-(4-pentylcyclohexyl)prop-2-enoxy]-4-propoxybenzene
CID 57031515
1-ethoxy-2,3-difluoro-4-[2-[4-[4-[4-(3-fluoroprop-1-enyl)cyclohexyl]phenyl]cyclohexyl]ethyl]benzene
CID 123495077
1-[2,3-difluoro-4-[(E)-4-(4-propylcyclohexyl)but-3-enyl]phenyl]-4-ethoxy-2,3-difluorobenzene
CID 118886065
1-(3-cyclobutylpropoxy)-4-[(E)-3-cyclopentylprop-2-enoxy]-2,3-difluorobenzene
CID 153282625
1-(2-cyclobutylethoxy)-4-[(E)-3-cyclopropylprop-2-enoxy]-3-fluoro-2-(trifluoromethoxy)benzene
CID 153282527
1-(2-cyclopentylethoxy)-4-(cyclopentylmethyl)-2-fluoro-3-methylbenzene;1-(cyclopentylmethoxy)-4-(cyclopentylmethyl)-2-fluoro-3-methylbenzene;1-(cyclopentylmethyl)-4-cyclopentyloxy-3-fluoro-2-methylbenzene;1-[(E)-4-cyclopropylbut-3-enyl]-4-(2-cyclopropylethoxy)-3-fluoro-2-methylbenzene;1-[(E)-4-cyclopropylbut-3-enyl]-4-(cyclopropylmethoxy)-3-fluoro-2-methylbenzene;1-[(E)-2-cyclopropylethenyl]-4-(cyclopropylmethoxy)-3-fluoro-2-methylbenzene;1-[(E)-2-cyclopropylethenyl]-4-cyclopropyloxy-3-fluoro-2-methylbenzene;1-(cyclopropylmethoxy)-4-[(E)-3-cyclopropylprop-2-enyl]-2-fluoro-3-methylbenzene;1-cyclopropyloxy-4-[(E)-3-cyclopropylprop-2-enyl]-2-fluoro-3-methylbenzene
CID 159453388
1-(cyclobutylmethoxy)-4-[(E)-4-cyclopropylbut-3-enyl]-2,3-difluorobenzene
CID 153282251
1-ethoxy-2,3-difluoro-4-[[4-(3-methoxyprop-1-enyl)cyclohexyl]methoxy]benzene
CID 67822338
1-ethoxy-2,3-difluoro-4-[(E)-3-[4-(4-propylcyclohexyl)cyclohexyl]prop-2-enoxy]benzene
CID 20816615

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropylethoxy)-4-[(E)-3-cyclopropylprop-2-enyl]-2,3-difluorobenzene?
The IUPAC name of 1-(2-cyclopropylethoxy)-4-[(E)-3-cyclopropylprop-2-enyl]-2,3-difluorobenzene (CID 153282371) is 1-(2-cyclopropylethoxy)-4-[(E)-3-cyclopropylprop-2-enyl]-2,3-difluorobenzene.
What is the SMILES notation for 1-(2-cyclopropylethoxy)-4-[(E)-3-cyclopropylprop-2-enyl]-2,3-difluorobenzene?
The canonical SMILES for 1-(2-cyclopropylethoxy)-4-[(E)-3-cyclopropylprop-2-enyl]-2,3-difluorobenzene is Fc1c(C/C=C/C2CC2)ccc(OCCC2CC2)c1F.
What is the InChIKey of 1-(2-cyclopropylethoxy)-4-[(E)-3-cyclopropylprop-2-enyl]-2,3-difluorobenzene?
The InChIKey is GZIXMQXSMOTOAX-OWOJBTEDSA-N. The full InChI is InChI=1S/C17H20F2O/c18-16-14(3-1-2-12-4-5-12)8-9-15(17(16)19)20-11-10-13-6-7-13/h1-2,8-9,12-13H,3-7,10-11H2/b2-1+.
What are the key properties of 1-(2-cyclopropylethoxy)-4-[(E)-3-cyclopropylprop-2-enyl]-2,3-difluorobenzene?
1-(2-cyclopropylethoxy)-4-[(E)-3-cyclopropylprop-2-enyl]-2,3-difluorobenzene has a molecular weight of 278.34 g/mol, XLogP of 4.65, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropylethoxy)-4-[(E)-3-cyclopropylprop-2-enyl]-2,3-difluorobenzene is sourced from PubChem (CID 153282371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).