1-[(E)-4-cyclobutylbut-3-enyl]-4-(cyclobutylmethoxy)-2-fluoro-3-(trifluoromethoxy)benzene

C20H24F4O2 — CID 148649365

IUPAC1-[(E)-4-cyclobutylbut-3-enyl]-4-(cyclobutylmethoxy)-2-fluoro-3-(trifluoromethoxy)benzene
SMILESFc1c(CC/C=C/C2CCC2)ccc(OCC2CCC2)c1OC(F)(F)F
InChIInChI=1S/C20H24F4O2/c21-18-16(10-2-1-5-14-6-3-7-14)11-12-17(19(18)26-20(22,23)24)25-13-15-8-4-9-15/h1,5,11-12,14-15H,2-4,6-10,13H2/b5-1+
InChIKeyNLPUQQVPHUOSMS-ORCRQEGFSA-N
MW372.40 g/mol
LogP6.19
Rot. Bonds8

About 1-[(E)-4-cyclobutylbut-3-enyl]-4-(cyclobutylmethoxy)-2-fluoro-3-(trifluoromethoxy)benzene

1-[(E)-4-cyclobutylbut-3-enyl]-4-(cyclobutylmethoxy)-2-fluoro-3-(trifluoromethoxy)benzene (PubChem CID 148649365) has the molecular formula C20H24F4O2 and a molecular weight of 372.40 g/mol. Its IUPAC name is 1-[(E)-4-cyclobutylbut-3-enyl]-4-(cyclobutylmethoxy)-2-fluoro-3-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1-[(E)-4-cyclobutylbut-3-enyl]-4-(cyclobutylmethoxy)-2-fluoro-3-(trifluoromethoxy)benzene
PubChem CID148649365
Molecular FormulaC20H24F4O2
Molecular Weight372.40 g/mol
Exact Mass372.17
IUPAC Name1-[(E)-4-cyclobutylbut-3-enyl]-4-(cyclobutylmethoxy)-2-fluoro-3-(trifluoromethoxy)benzene
SMILESFc1c(CC/C=C/C2CCC2)ccc(OCC2CCC2)c1OC(F)(F)F
InChIInChI=1S/C20H24F4O2/c21-18-16(10-2-1-5-14-6-3-7-14)11-12-17(19(18)26-20(22,23)24)25-13-15-8-4-9-15/h1,5,11-12,14-15H,2-4,6-10,13H2/b5-1+
InChIKeyNLPUQQVPHUOSMS-ORCRQEGFSA-N
XLogP6.19
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 ≤ 56.19
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-(cyclopentylmethoxy)-4-[(E)-3-cyclopentylprop-2-enyl]-3-fluoro-2-(trifluoromethoxy)benzene
CID 148983725
1-(cyclobutylmethoxy)-4-[(E)-4-cyclopentylbut-3-enyl]-2,3-difluorobenzene
CID 153282642
1-(cyclobutylmethoxy)-4-[(E)-4-cyclopropylbut-3-enyl]-2,3-difluorobenzene
CID 153282251
1-(cyclobutylmethoxy)-4-[(E)-3-cyclobutylprop-2-enyl]-3-methyl-2-(trifluoromethoxy)benzene
CID 161037979
1-(cyclopentylmethoxy)-4-(cyclopentylmethyl)-3-fluoro-2-(trifluoromethoxy)benzene
CID 153282549
1-[(E)-3-cyclobutylprop-2-enyl]-4-(cyclopropylmethoxy)-2-methyl-3-(trifluoromethoxy)benzene
CID 157180852
1-[(E)-4-cyclopentylbut-3-enyl]-4-(cyclopentylmethoxy)-2-methyl-3-(trifluoromethoxy)benzene;1-[(E)-4-cyclopentylbut-3-enyl]-4-cyclopentyloxy-2-methyl-3-(trifluoromethoxy)benzene;1-[(E)-2-cyclopentylethenyl]-4-(2-cyclopentylethoxy)-2-methyl-3-(trifluoromethoxy)benzene;1-[(E)-2-cyclopentylethenyl]-4-(cyclopentylmethoxy)-2-methyl-3-(trifluoromethoxy)benzene;1-[(E)-2-cyclopentylethenyl]-4-cyclopentyloxy-2-methyl-3-(trifluoromethoxy)benzene;1-(2-cyclopentylethoxy)-4-[(E)-3-cyclopentylprop-2-enyl]-3-methyl-2-(trifluoromethoxy)benzene;1-(cyclopentylmethoxy)-4-[(E)-3-cyclopentylprop-2-enyl]-3-methyl-2-(trifluoromethoxy)benzene;1-cyclopentyloxy-4-[(E)-3-cyclopentylprop-2-enyl]-3-methyl-2-(trifluoromethoxy)benzene
CID 159104567
1-(2-cyclobutylethoxy)-4-(cyclobutylmethoxy)-3-fluoro-2-(trifluoromethoxy)benzene
CID 153282615
1-[(E)-3-cyclopentylprop-2-enoxy]-4-[(E)-3-cyclopropylprop-2-enoxy]-2-fluoro-3-(trifluoromethoxy)benzene
CID 148723204
1-(cyclopentylmethoxy)-4-ethoxy-3-fluoro-2-(trifluoromethoxy)benzene
CID 153282425
1-(2-cyclobutylethoxy)-4-[(E)-3-cyclopropylprop-2-enoxy]-3-fluoro-2-(trifluoromethoxy)benzene
CID 153282527
1-[(E)-4-cyclobutylbut-3-enyl]-4-cyclopentyloxy-2,3-difluorobenzene
CID 147649188

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-4-cyclobutylbut-3-enyl]-4-(cyclobutylmethoxy)-2-fluoro-3-(trifluoromethoxy)benzene?
The IUPAC name of 1-[(E)-4-cyclobutylbut-3-enyl]-4-(cyclobutylmethoxy)-2-fluoro-3-(trifluoromethoxy)benzene (CID 148649365) is 1-[(E)-4-cyclobutylbut-3-enyl]-4-(cyclobutylmethoxy)-2-fluoro-3-(trifluoromethoxy)benzene.
What is the SMILES notation for 1-[(E)-4-cyclobutylbut-3-enyl]-4-(cyclobutylmethoxy)-2-fluoro-3-(trifluoromethoxy)benzene?
The canonical SMILES for 1-[(E)-4-cyclobutylbut-3-enyl]-4-(cyclobutylmethoxy)-2-fluoro-3-(trifluoromethoxy)benzene is Fc1c(CC/C=C/C2CCC2)ccc(OCC2CCC2)c1OC(F)(F)F.
What is the InChIKey of 1-[(E)-4-cyclobutylbut-3-enyl]-4-(cyclobutylmethoxy)-2-fluoro-3-(trifluoromethoxy)benzene?
The InChIKey is NLPUQQVPHUOSMS-ORCRQEGFSA-N. The full InChI is InChI=1S/C20H24F4O2/c21-18-16(10-2-1-5-14-6-3-7-14)11-12-17(19(18)26-20(22,23)24)25-13-15-8-4-9-15/h1,5,11-12,14-15H,2-4,6-10,13H2/b5-1+.
What are the key properties of 1-[(E)-4-cyclobutylbut-3-enyl]-4-(cyclobutylmethoxy)-2-fluoro-3-(trifluoromethoxy)benzene?
1-[(E)-4-cyclobutylbut-3-enyl]-4-(cyclobutylmethoxy)-2-fluoro-3-(trifluoromethoxy)benzene has a molecular weight of 372.40 g/mol, XLogP of 6.19, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-4-cyclobutylbut-3-enyl]-4-(cyclobutylmethoxy)-2-fluoro-3-(trifluoromethoxy)benzene is sourced from PubChem (CID 148649365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).