5,5,6,6-tetrafluoro-1-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]cyclohexa-1,3-diene

C27H34F4 — CID 121476355

IUPAC5,5,6,6-tetrafluoro-1-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]cyclohexa-1,3-diene
SMILESCCCC1CCC(C2CCC(c3ccc(C4=CC=CC(F)(F)C4(F)F)cc3)CC2)CC1
InChIInChI=1S/C27H34F4/c1-2-4-19-6-8-20(9-7-19)21-10-12-22(13-11-21)23-14-16-24(17-15-23)25-5-3-18-26(28,29)27(25,30)31/h3,5,14-22H,2,4,6-13H2,1H3
InChIKeyMHWPGDDETIFREJ-UHFFFAOYSA-N
MW434.56 g/mol
LogP8.79
Rot. Bonds5

About 5,5,6,6-tetrafluoro-1-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]cyclohexa-1,3-diene

5,5,6,6-tetrafluoro-1-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]cyclohexa-1,3-diene (PubChem CID 121476355) has the molecular formula C27H34F4 and a molecular weight of 434.56 g/mol. Its IUPAC name is 5,5,6,6-tetrafluoro-1-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]cyclohexa-1,3-diene.

Molecular Properties

Compound Name5,5,6,6-tetrafluoro-1-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]cyclohexa-1,3-diene
PubChem CID121476355
Molecular FormulaC27H34F4
Molecular Weight434.56 g/mol
Exact Mass434.26
IUPAC Name5,5,6,6-tetrafluoro-1-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]cyclohexa-1,3-diene
SMILESCCCC1CCC(C2CCC(c3ccc(C4=CC=CC(F)(F)C4(F)F)cc3)CC2)CC1
InChIInChI=1S/C27H34F4/c1-2-4-19-6-8-20(9-7-19)21-10-12-22(13-11-21)23-14-16-24(17-15-23)25-5-3-18-26(28,29)27(25,30)31/h3,5,14-22H,2,4,6-13H2,1H3
InChIKeyMHWPGDDETIFREJ-UHFFFAOYSA-N
XLogP8.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.56
LogP ≤ 58.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 5,5,6,6-tetrafluoro-1-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]cyclohexa-1,3-diene with MolForge

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Related Compounds

1,1,2,2-tetrafluoro-6-[4-(4-propylcyclohexyl)cyclohexyl]naphthalene
CID 139850129
1-phenyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 54467761
1,1,2,2,8-pentafluoro-6-[4-(4-propylcyclohexyl)cyclohexyl]naphthalene
CID 139850159
1-fluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 611152
pentafluoro-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]-λ6-sulfane
CID 54147756
1-[(1R,2R)-2-fluorocyclopropyl]-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 139666683
1-methyl-4-[[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]methyl]benzene
CID 58932728
1-methyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;bis(1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene)
CID 161029870
1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;1-ethyl-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 145309431
3,3,4,4-tetrafluoro-7-[4-(4-propylcyclohexyl)phenyl]-1,2-dihydronaphthalene
CID 139850222
1-(4-ethylcyclohexyl)-4-(4-propylcyclohexyl)benzene
CID 20538372
1-chloro-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 118912523

Frequently Asked Questions

What is the IUPAC name of 5,5,6,6-tetrafluoro-1-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]cyclohexa-1,3-diene?
The IUPAC name of 5,5,6,6-tetrafluoro-1-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]cyclohexa-1,3-diene (CID 121476355) is 5,5,6,6-tetrafluoro-1-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]cyclohexa-1,3-diene.
What is the SMILES notation for 5,5,6,6-tetrafluoro-1-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]cyclohexa-1,3-diene?
The canonical SMILES for 5,5,6,6-tetrafluoro-1-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]cyclohexa-1,3-diene is CCCC1CCC(C2CCC(c3ccc(C4=CC=CC(F)(F)C4(F)F)cc3)CC2)CC1.
What is the InChIKey of 5,5,6,6-tetrafluoro-1-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]cyclohexa-1,3-diene?
The InChIKey is MHWPGDDETIFREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34F4/c1-2-4-19-6-8-20(9-7-19)21-10-12-22(13-11-21)23-14-16-24(17-15-23)25-5-3-18-26(28,29)27(25,30)31/h3,5,14-22H,2,4,6-13H2,1H3.
What are the key properties of 5,5,6,6-tetrafluoro-1-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]cyclohexa-1,3-diene?
5,5,6,6-tetrafluoro-1-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]cyclohexa-1,3-diene has a molecular weight of 434.56 g/mol, XLogP of 8.79, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,6,6-tetrafluoro-1-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]cyclohexa-1,3-diene is sourced from PubChem (CID 121476355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).