5,5,6,6-tetrafluoro-1-(4-propylcyclohexyl)-4-[2-(4-propylphenyl)ethyl]cyclohexa-1,3-diene

C26H34F4 — CID 121476332

IUPAC5,5,6,6-tetrafluoro-1-(4-propylcyclohexyl)-4-[2-(4-propylphenyl)ethyl]cyclohexa-1,3-diene
SMILESCCCc1ccc(CCC2=CC=C(C3CCC(CCC)CC3)C(F)(F)C2(F)F)cc1
InChIInChI=1S/C26H34F4/c1-3-5-19-7-9-21(10-8-19)13-16-23-17-18-24(26(29,30)25(23,27)28)22-14-11-20(6-4-2)12-15-22/h7-10,17-18,20,22H,3-6,11-16H2,1-2H3
InChIKeyYFOLRLDGKWFQPW-UHFFFAOYSA-N
MW422.55 g/mol
LogP8.32
Rot. Bonds8

About 5,5,6,6-tetrafluoro-1-(4-propylcyclohexyl)-4-[2-(4-propylphenyl)ethyl]cyclohexa-1,3-diene

5,5,6,6-tetrafluoro-1-(4-propylcyclohexyl)-4-[2-(4-propylphenyl)ethyl]cyclohexa-1,3-diene (PubChem CID 121476332) has the molecular formula C26H34F4 and a molecular weight of 422.55 g/mol. Its IUPAC name is 5,5,6,6-tetrafluoro-1-(4-propylcyclohexyl)-4-[2-(4-propylphenyl)ethyl]cyclohexa-1,3-diene.

Molecular Properties

Compound Name5,5,6,6-tetrafluoro-1-(4-propylcyclohexyl)-4-[2-(4-propylphenyl)ethyl]cyclohexa-1,3-diene
PubChem CID121476332
Molecular FormulaC26H34F4
Molecular Weight422.55 g/mol
Exact Mass422.26
IUPAC Name5,5,6,6-tetrafluoro-1-(4-propylcyclohexyl)-4-[2-(4-propylphenyl)ethyl]cyclohexa-1,3-diene
SMILESCCCc1ccc(CCC2=CC=C(C3CCC(CCC)CC3)C(F)(F)C2(F)F)cc1
InChIInChI=1S/C26H34F4/c1-3-5-19-7-9-21(10-8-19)13-16-23-17-18-24(26(29,30)25(23,27)28)22-14-11-20(6-4-2)12-15-22/h7-10,17-18,20,22H,3-6,11-16H2,1-2H3
InChIKeyYFOLRLDGKWFQPW-UHFFFAOYSA-N
XLogP8.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.55
LogP ≤ 58.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2,3-difluoro-4-(4-propylcyclohexyl)phenyl]ethyl]-5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-diene
CID 121476301
1-ethyl-5,5,6,6-tetrafluoro-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]cyclohexa-1,3-diene
CID 121476149
5,5,6,6-tetrafluoro-1-prop-2-enoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene
CID 121476238
1-[(1R,4S)-2,2-difluoro-4-propylcyclohexyl]-4-propylbenzene
CID 67878604
5,5,6,6-tetrafluoro-1-[[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]methoxy]-4-propylcyclohexa-1,3-diene
CID 121476370
1-propyl-4-[2-[4-[(2R)-1-(4-propylcyclohexyl)propan-2-yl]phenyl]ethyl]benzene
CID 139753533
1-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-diene
CID 121476314
2,3-difluoro-1-(4-propylcyclohexyl)-4-[4-(4-propylphenyl)phenyl]benzene
CID 129065276
5,5,6,6-tetrafluoro-1-propyl-4-[5,5,6,6-tetrafluoro-4-(4-propylphenyl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene
CID 121476289
2-[4-(4-propylcyclohexyl)phenyl]-5-(4-propylphenyl)-1,3-dioxane
CID 70410242
2,3,6-trifluoro-5-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]pyridine
CID 23190473
1-(4-heptylcyclohexyl)-4-propylbenzene
CID 14941603

Frequently Asked Questions

What is the IUPAC name of 5,5,6,6-tetrafluoro-1-(4-propylcyclohexyl)-4-[2-(4-propylphenyl)ethyl]cyclohexa-1,3-diene?
The IUPAC name of 5,5,6,6-tetrafluoro-1-(4-propylcyclohexyl)-4-[2-(4-propylphenyl)ethyl]cyclohexa-1,3-diene (CID 121476332) is 5,5,6,6-tetrafluoro-1-(4-propylcyclohexyl)-4-[2-(4-propylphenyl)ethyl]cyclohexa-1,3-diene.
What is the SMILES notation for 5,5,6,6-tetrafluoro-1-(4-propylcyclohexyl)-4-[2-(4-propylphenyl)ethyl]cyclohexa-1,3-diene?
The canonical SMILES for 5,5,6,6-tetrafluoro-1-(4-propylcyclohexyl)-4-[2-(4-propylphenyl)ethyl]cyclohexa-1,3-diene is CCCc1ccc(CCC2=CC=C(C3CCC(CCC)CC3)C(F)(F)C2(F)F)cc1.
What is the InChIKey of 5,5,6,6-tetrafluoro-1-(4-propylcyclohexyl)-4-[2-(4-propylphenyl)ethyl]cyclohexa-1,3-diene?
The InChIKey is YFOLRLDGKWFQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34F4/c1-3-5-19-7-9-21(10-8-19)13-16-23-17-18-24(26(29,30)25(23,27)28)22-14-11-20(6-4-2)12-15-22/h7-10,17-18,20,22H,3-6,11-16H2,1-2H3.
What are the key properties of 5,5,6,6-tetrafluoro-1-(4-propylcyclohexyl)-4-[2-(4-propylphenyl)ethyl]cyclohexa-1,3-diene?
5,5,6,6-tetrafluoro-1-(4-propylcyclohexyl)-4-[2-(4-propylphenyl)ethyl]cyclohexa-1,3-diene has a molecular weight of 422.55 g/mol, XLogP of 8.32, 8 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-propylcyclohexyl)-4-[2-(4-propylphenyl)ethyl]cyclohexa-1,3-diene is sourced from PubChem (CID 121476332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).