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

C25H32F6O — CID 22080366

IUPAC1-[(E)-2-[4-(4-ethylcyclohexyl)cyclohexyl]ethenyl]-4-(1,1,2,3,3,3-hexafluoropropoxy)benzene
SMILESCCC1CCC(C2CCC(/C=C/c3ccc(OC(F)(F)C(F)C(F)(F)F)cc3)CC2)CC1
InChIInChI=1S/C25H32F6O/c1-2-17-5-11-20(12-6-17)21-13-7-18(8-14-21)3-4-19-9-15-22(16-10-19)32-25(30,31)23(26)24(27,28)29/h3-4,9-10,15-18,20-21,23H,2,5-8,11-14H2,1H3/b4-3+
InChIKeySSBBCQDBRFVGQS-ONEGZZNKSA-N
MW462.52 g/mol
LogP8.59
Rot. Bonds7

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

1-[(E)-2-[4-(4-ethylcyclohexyl)cyclohexyl]ethenyl]-4-(1,1,2,3,3,3-hexafluoropropoxy)benzene (PubChem CID 22080366) has the molecular formula C25H32F6O and a molecular weight of 462.52 g/mol. Its IUPAC name is 1-[(E)-2-[4-(4-ethylcyclohexyl)cyclohexyl]ethenyl]-4-(1,1,2,3,3,3-hexafluoropropoxy)benzene.

Molecular Properties

Compound Name1-[(E)-2-[4-(4-ethylcyclohexyl)cyclohexyl]ethenyl]-4-(1,1,2,3,3,3-hexafluoropropoxy)benzene
PubChem CID22080366
Molecular FormulaC25H32F6O
Molecular Weight462.52 g/mol
Exact Mass462.24
IUPAC Name1-[(E)-2-[4-(4-ethylcyclohexyl)cyclohexyl]ethenyl]-4-(1,1,2,3,3,3-hexafluoropropoxy)benzene
SMILESCCC1CCC(C2CCC(/C=C/c3ccc(OC(F)(F)C(F)C(F)(F)F)cc3)CC2)CC1
InChIInChI=1S/C25H32F6O/c1-2-17-5-11-20(12-6-17)21-13-7-18(8-14-21)3-4-19-9-15-22(16-10-19)32-25(30,31)23(26)24(27,28)29/h3-4,9-10,15-18,20-21,23H,2,5-8,11-14H2,1H3/b4-3+
InChIKeySSBBCQDBRFVGQS-ONEGZZNKSA-N
XLogP8.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.52
LogP ≤ 58.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[(E)-2-[4-(4-ethylcyclohexyl)cyclohexyl]ethenyl]-4-(1,1,2,3,3,3-hexafluoropropoxy)benzene with MolForge

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Related Compounds

1-(1,1,2,3,3,3-hexafluoropropoxy)-4-[(E)-2-[4-[4-(methoxymethyl)cyclohexyl]cyclohexyl]ethenyl]benzene
CID 22079999
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-[4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexyl]benzene
CID 22080296
1-[4-[4-(4-ethylcyclohexyl)cyclohexyl]but-3-en-1-ynyl]-4-(trifluoromethoxy)benzene
CID 54336754
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-(1,1,2,3,3,3-hexafluoropropoxy)-4-[2-[4-[4-(methoxymethoxy)cyclohexyl]cyclohexyl]ethyl]benzene
CID 22080262
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-[4-(4-ethylcyclohexyl)but-3-en-1-ynyl]-4-(trifluoromethoxy)benzene
CID 54231732
1-(1,1,2,3,3,3-hexafluoropropoxy)-4-[4-[2-(4-hexylcyclohexyl)ethyl]phenyl]benzene
CID 22080212

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-[4-(4-ethylcyclohexyl)cyclohexyl]ethenyl]-4-(1,1,2,3,3,3-hexafluoropropoxy)benzene?
The IUPAC name of 1-[(E)-2-[4-(4-ethylcyclohexyl)cyclohexyl]ethenyl]-4-(1,1,2,3,3,3-hexafluoropropoxy)benzene (CID 22080366) is 1-[(E)-2-[4-(4-ethylcyclohexyl)cyclohexyl]ethenyl]-4-(1,1,2,3,3,3-hexafluoropropoxy)benzene.
What is the SMILES notation for 1-[(E)-2-[4-(4-ethylcyclohexyl)cyclohexyl]ethenyl]-4-(1,1,2,3,3,3-hexafluoropropoxy)benzene?
The canonical SMILES for 1-[(E)-2-[4-(4-ethylcyclohexyl)cyclohexyl]ethenyl]-4-(1,1,2,3,3,3-hexafluoropropoxy)benzene is CCC1CCC(C2CCC(/C=C/c3ccc(OC(F)(F)C(F)C(F)(F)F)cc3)CC2)CC1.
What is the InChIKey of 1-[(E)-2-[4-(4-ethylcyclohexyl)cyclohexyl]ethenyl]-4-(1,1,2,3,3,3-hexafluoropropoxy)benzene?
The InChIKey is SSBBCQDBRFVGQS-ONEGZZNKSA-N. The full InChI is InChI=1S/C25H32F6O/c1-2-17-5-11-20(12-6-17)21-13-7-18(8-14-21)3-4-19-9-15-22(16-10-19)32-25(30,31)23(26)24(27,28)29/h3-4,9-10,15-18,20-21,23H,2,5-8,11-14H2,1H3/b4-3+.
What are the key properties of 1-[(E)-2-[4-(4-ethylcyclohexyl)cyclohexyl]ethenyl]-4-(1,1,2,3,3,3-hexafluoropropoxy)benzene?
1-[(E)-2-[4-(4-ethylcyclohexyl)cyclohexyl]ethenyl]-4-(1,1,2,3,3,3-hexafluoropropoxy)benzene has a molecular weight of 462.52 g/mol, XLogP of 8.59, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-[4-(4-ethylcyclohexyl)cyclohexyl]ethenyl]-4-(1,1,2,3,3,3-hexafluoropropoxy)benzene is sourced from PubChem (CID 22080366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).