1-(1,1,2,3,3,3-hexafluoropropoxy)-4-[2-[4-(4-propylphenyl)phenyl]ethenyl]benzene

C26H22F6O — CID 54297932

IUPAC1-(1,1,2,3,3,3-hexafluoropropoxy)-4-[2-[4-(4-propylphenyl)phenyl]ethenyl]benzene
SMILESCCCc1ccc(-c2ccc(C=Cc3ccc(OC(F)(F)C(F)C(F)(F)F)cc3)cc2)cc1
InChIInChI=1S/C26H22F6O/c1-2-3-18-6-12-21(13-7-18)22-14-8-19(9-15-22)4-5-20-10-16-23(17-11-20)33-26(31,32)24(27)25(28,29)30/h4-17,24H,2-3H2,1H3
InChIKeySCCAMERXLLROOZ-UHFFFAOYSA-N
MW464.45 g/mol
LogP8.35
Rot. Bonds8

About 1-(1,1,2,3,3,3-hexafluoropropoxy)-4-[2-[4-(4-propylphenyl)phenyl]ethenyl]benzene

1-(1,1,2,3,3,3-hexafluoropropoxy)-4-[2-[4-(4-propylphenyl)phenyl]ethenyl]benzene (PubChem CID 54297932) has the molecular formula C26H22F6O and a molecular weight of 464.45 g/mol. Its IUPAC name is 1-(1,1,2,3,3,3-hexafluoropropoxy)-4-[2-[4-(4-propylphenyl)phenyl]ethenyl]benzene.

Molecular Properties

Compound Name1-(1,1,2,3,3,3-hexafluoropropoxy)-4-[2-[4-(4-propylphenyl)phenyl]ethenyl]benzene
PubChem CID54297932
Molecular FormulaC26H22F6O
Molecular Weight464.45 g/mol
Exact Mass464.16
IUPAC Name1-(1,1,2,3,3,3-hexafluoropropoxy)-4-[2-[4-(4-propylphenyl)phenyl]ethenyl]benzene
SMILESCCCc1ccc(-c2ccc(C=Cc3ccc(OC(F)(F)C(F)C(F)(F)F)cc3)cc2)cc1
InChIInChI=1S/C26H22F6O/c1-2-3-18-6-12-21(13-7-18)22-14-8-19(9-15-22)4-5-20-10-16-23(17-11-20)33-26(31,32)24(27)25(28,29)30/h4-17,24H,2-3H2,1H3
InChIKeySCCAMERXLLROOZ-UHFFFAOYSA-N
XLogP8.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.45
LogP ≤ 58.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(1,1,2,3,3,3-hexafluoropropoxy)-4-[4-[2-(4-pentylcyclohexyl)ethyl]phenyl]benzene
CID 22080335
1-(1,1,2,3,3,3-hexafluoropropoxy)-4-[2-[4-(4-pentylphenyl)cyclohexyl]ethenyl]benzene
CID 54259192
1-(1,1,2,3,3,3-hexafluoropropoxy)-4-[2-[4-(4-propylphenyl)cyclohexyl]ethyl]benzene
CID 22080079
1-(1,1,2,3,3,3-hexafluoropropoxy)-4-[4-[2-(4-hexylcyclohexyl)ethyl]phenyl]benzene
CID 22080212
S-[3-[4-[(2S)-1,1,2,3,3,3-hexafluoropropoxy]phenyl]prop-2-enyl] ethanethioate
CID 169458374
1-[(E)-2-[4-(4-ethylcyclohexyl)cyclohexyl]ethenyl]-4-(1,1,2,3,3,3-hexafluoropropoxy)benzene
CID 22080366
1-[(2-methylpropan-2-yl)oxy]-4-propylbenzene
CID 19097569
4-(4-butylphenyl)-2-chloro-1-(1,1,2,3,3,3-hexafluoropropoxy)benzene
CID 22080363
1-(1,1,2,3,3,3-hexafluoropropoxy)-4-[2-[4-(4-pentylphenyl)cyclohexyl]ethyl]benzene
CID 22080337
butane;1-hexyl-4-(1,1,2,2-tetrafluoroethoxy)benzene
CID 143474263
4-(4-butylcyclohexyl)-2-fluoro-1-[2-[4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]ethenyl]benzene
CID 54176052
1-(3,4-difluorophenyl)-4-[(E)-1,1-difluoro-3-[4-(4-propylphenyl)phenyl]prop-2-enoxy]-2-fluorobenzene
CID 58077415

Frequently Asked Questions

What is the IUPAC name of 1-(1,1,2,3,3,3-hexafluoropropoxy)-4-[2-[4-(4-propylphenyl)phenyl]ethenyl]benzene?
The IUPAC name of 1-(1,1,2,3,3,3-hexafluoropropoxy)-4-[2-[4-(4-propylphenyl)phenyl]ethenyl]benzene (CID 54297932) is 1-(1,1,2,3,3,3-hexafluoropropoxy)-4-[2-[4-(4-propylphenyl)phenyl]ethenyl]benzene.
What is the SMILES notation for 1-(1,1,2,3,3,3-hexafluoropropoxy)-4-[2-[4-(4-propylphenyl)phenyl]ethenyl]benzene?
The canonical SMILES for 1-(1,1,2,3,3,3-hexafluoropropoxy)-4-[2-[4-(4-propylphenyl)phenyl]ethenyl]benzene is CCCc1ccc(-c2ccc(C=Cc3ccc(OC(F)(F)C(F)C(F)(F)F)cc3)cc2)cc1.
What is the InChIKey of 1-(1,1,2,3,3,3-hexafluoropropoxy)-4-[2-[4-(4-propylphenyl)phenyl]ethenyl]benzene?
The InChIKey is SCCAMERXLLROOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F6O/c1-2-3-18-6-12-21(13-7-18)22-14-8-19(9-15-22)4-5-20-10-16-23(17-11-20)33-26(31,32)24(27)25(28,29)30/h4-17,24H,2-3H2,1H3.
What are the key properties of 1-(1,1,2,3,3,3-hexafluoropropoxy)-4-[2-[4-(4-propylphenyl)phenyl]ethenyl]benzene?
1-(1,1,2,3,3,3-hexafluoropropoxy)-4-[2-[4-(4-propylphenyl)phenyl]ethenyl]benzene has a molecular weight of 464.45 g/mol, XLogP of 8.35, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,2,3,3,3-hexafluoropropoxy)-4-[2-[4-(4-propylphenyl)phenyl]ethenyl]benzene is sourced from PubChem (CID 54297932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).