1-(1,1,2,3,3,3-hexafluoropropoxy)-4-[(E)-2-[4-[4-(methoxymethyl)cyclohexyl]cyclohexyl]ethenyl]benzene

C25H32F6O2 — CID 22079999

IUPAC1-(1,1,2,3,3,3-hexafluoropropoxy)-4-[(E)-2-[4-[4-(methoxymethyl)cyclohexyl]cyclohexyl]ethenyl]benzene
SMILESCOCC1CCC(C2CCC(/C=C/c3ccc(OC(F)(F)C(F)C(F)(F)F)cc3)CC2)CC1
InChIInChI=1S/C25H32F6O2/c1-32-16-19-6-12-21(13-7-19)20-10-4-17(5-11-20)2-3-18-8-14-22(15-9-18)33-25(30,31)23(26)24(27,28)29/h2-3,8-9,14-15,17,19-21,23H,4-7,10-13,16H2,1H3/b3-2+
InChIKeyBJORNYNOHICUCJ-NSCUHMNNSA-N
MW478.52 g/mol
LogP7.83
Rot. Bonds8

About 1-(1,1,2,3,3,3-hexafluoropropoxy)-4-[(E)-2-[4-[4-(methoxymethyl)cyclohexyl]cyclohexyl]ethenyl]benzene

1-(1,1,2,3,3,3-hexafluoropropoxy)-4-[(E)-2-[4-[4-(methoxymethyl)cyclohexyl]cyclohexyl]ethenyl]benzene (PubChem CID 22079999) has the molecular formula C25H32F6O2 and a molecular weight of 478.52 g/mol. Its IUPAC name is 1-(1,1,2,3,3,3-hexafluoropropoxy)-4-[(E)-2-[4-[4-(methoxymethyl)cyclohexyl]cyclohexyl]ethenyl]benzene.

Molecular Properties

Compound Name1-(1,1,2,3,3,3-hexafluoropropoxy)-4-[(E)-2-[4-[4-(methoxymethyl)cyclohexyl]cyclohexyl]ethenyl]benzene
PubChem CID22079999
Molecular FormulaC25H32F6O2
Molecular Weight478.52 g/mol
Exact Mass478.23
IUPAC Name1-(1,1,2,3,3,3-hexafluoropropoxy)-4-[(E)-2-[4-[4-(methoxymethyl)cyclohexyl]cyclohexyl]ethenyl]benzene
SMILESCOCC1CCC(C2CCC(/C=C/c3ccc(OC(F)(F)C(F)C(F)(F)F)cc3)CC2)CC1
InChIInChI=1S/C25H32F6O2/c1-32-16-19-6-12-21(13-7-19)20-10-4-17(5-11-20)2-3-18-8-14-22(15-9-18)33-25(30,31)23(26)24(27,28)29/h2-3,8-9,14-15,17,19-21,23H,4-7,10-13,16H2,1H3/b3-2+
InChIKeyBJORNYNOHICUCJ-NSCUHMNNSA-N
XLogP7.83
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.52
LogP ≤ 57.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(E)-2-[4-(4-ethylcyclohexyl)cyclohexyl]ethenyl]-4-(1,1,2,3,3,3-hexafluoropropoxy)benzene
CID 22080366
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-(methoxymethoxy)cyclohexyl]cyclohexyl]ethyl]benzene
CID 22080262
1-(1,1,2,3,3,3-hexafluoropropoxy)-4-[4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexyl]benzene
CID 22080296
1-(1,1,2,3,3,3-hexafluoropropoxy)-4-[2-[4-(4-propylphenyl)phenyl]ethenyl]benzene
CID 54297932
4-(4-butylcyclohexyl)-2-fluoro-1-[2-[4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]ethenyl]benzene
CID 54176052
1,3-difluoro-2-(1,1,2,3,3,3-hexafluoropropoxy)-5-[4-[2-[4-(methoxymethyl)cyclohexyl]ethyl]phenyl]benzene
CID 22080411
S-[3-[4-[(2S)-1,1,2,3,3,3-hexafluoropropoxy]phenyl]prop-2-enyl] ethanethioate
CID 169458374
2-fluoro-1-[4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 139656988
1-(4-heptylcyclohexyl)-4-(1,1,2,3,3,3-hexafluoropropoxy)benzene
CID 23193009
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-propylphenyl)cyclohexyl]ethyl]benzene
CID 22080079

Frequently Asked Questions

What is the IUPAC name of 1-(1,1,2,3,3,3-hexafluoropropoxy)-4-[(E)-2-[4-[4-(methoxymethyl)cyclohexyl]cyclohexyl]ethenyl]benzene?
The IUPAC name of 1-(1,1,2,3,3,3-hexafluoropropoxy)-4-[(E)-2-[4-[4-(methoxymethyl)cyclohexyl]cyclohexyl]ethenyl]benzene (CID 22079999) is 1-(1,1,2,3,3,3-hexafluoropropoxy)-4-[(E)-2-[4-[4-(methoxymethyl)cyclohexyl]cyclohexyl]ethenyl]benzene.
What is the SMILES notation for 1-(1,1,2,3,3,3-hexafluoropropoxy)-4-[(E)-2-[4-[4-(methoxymethyl)cyclohexyl]cyclohexyl]ethenyl]benzene?
The canonical SMILES for 1-(1,1,2,3,3,3-hexafluoropropoxy)-4-[(E)-2-[4-[4-(methoxymethyl)cyclohexyl]cyclohexyl]ethenyl]benzene is COCC1CCC(C2CCC(/C=C/c3ccc(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-[(E)-2-[4-[4-(methoxymethyl)cyclohexyl]cyclohexyl]ethenyl]benzene?
The InChIKey is BJORNYNOHICUCJ-NSCUHMNNSA-N. The full InChI is InChI=1S/C25H32F6O2/c1-32-16-19-6-12-21(13-7-19)20-10-4-17(5-11-20)2-3-18-8-14-22(15-9-18)33-25(30,31)23(26)24(27,28)29/h2-3,8-9,14-15,17,19-21,23H,4-7,10-13,16H2,1H3/b3-2+.
What are the key properties of 1-(1,1,2,3,3,3-hexafluoropropoxy)-4-[(E)-2-[4-[4-(methoxymethyl)cyclohexyl]cyclohexyl]ethenyl]benzene?
1-(1,1,2,3,3,3-hexafluoropropoxy)-4-[(E)-2-[4-[4-(methoxymethyl)cyclohexyl]cyclohexyl]ethenyl]benzene has a molecular weight of 478.52 g/mol, XLogP of 7.83, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,2,3,3,3-hexafluoropropoxy)-4-[(E)-2-[4-[4-(methoxymethyl)cyclohexyl]cyclohexyl]ethenyl]benzene is sourced from PubChem (CID 22079999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).