5,5,6,6-tetrafluoro-1-[[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]methoxy]-4-propylcyclohexa-1,3-diene

C33H46F4O — CID 121476370

IUPAC5,5,6,6-tetrafluoro-1-[[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]methoxy]-4-propylcyclohexa-1,3-diene
SMILESCCCCCC1CCC(C2CCC(c3ccc(COC4=CC=C(CCC)C(F)(F)C4(F)F)cc3)CC2)CC1
InChIInChI=1S/C33H46F4O/c1-3-5-6-8-24-9-13-26(14-10-24)28-17-19-29(20-18-28)27-15-11-25(12-16-27)23-38-31-22-21-30(7-4-2)32(34,35)33(31,36)37/h11-12,15-16,21-22,24,26,28-29H,3-10,13-14,17-20,23H2,1-2H3
InChIKeyREVBHYLGDOZNNM-UHFFFAOYSA-N
MW534.72 g/mol
LogP10.76
Rot. Bonds11

About 5,5,6,6-tetrafluoro-1-[[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]methoxy]-4-propylcyclohexa-1,3-diene

5,5,6,6-tetrafluoro-1-[[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]methoxy]-4-propylcyclohexa-1,3-diene (PubChem CID 121476370) has the molecular formula C33H46F4O and a molecular weight of 534.72 g/mol. Its IUPAC name is 5,5,6,6-tetrafluoro-1-[[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]methoxy]-4-propylcyclohexa-1,3-diene.

Molecular Properties

Compound Name5,5,6,6-tetrafluoro-1-[[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]methoxy]-4-propylcyclohexa-1,3-diene
PubChem CID121476370
Molecular FormulaC33H46F4O
Molecular Weight534.72 g/mol
Exact Mass534.35
IUPAC Name5,5,6,6-tetrafluoro-1-[[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]methoxy]-4-propylcyclohexa-1,3-diene
SMILESCCCCCC1CCC(C2CCC(c3ccc(COC4=CC=C(CCC)C(F)(F)C4(F)F)cc3)CC2)CC1
InChIInChI=1S/C33H46F4O/c1-3-5-6-8-24-9-13-26(14-10-24)28-17-19-29(20-18-28)27-15-11-25(12-16-27)23-38-31-22-21-30(7-4-2)32(34,35)33(31,36)37/h11-12,15-16,21-22,24,26,28-29H,3-10,13-14,17-20,23H2,1-2H3
InChIKeyREVBHYLGDOZNNM-UHFFFAOYSA-N
XLogP10.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.72
LogP ≤ 510.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5,5,6,6-tetrafluoro-1-[[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]methoxy]-4-propylcyclohexa-1,3-diene with MolForge

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Related Compounds

1-butoxy-4-[[4-(4-pentylcyclohexyl)phenyl]methoxy]benzene
CID 54111085
1-(4-heptylcyclohexyl)-4-propylbenzene
CID 14941603
1-(4-pentylcyclohexyl)-4-[[4-(trifluoromethyl)phenoxy]methyl]benzene
CID 19021199
1-ethoxy-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene
CID 18605125
4-[4-(4-heptylcyclohexyl)cyclohexyl]phenol
CID 139983091
pentafluoro-[4-[[4-(4-octylcyclohexyl)phenyl]methoxy]phenyl]-λ6-sulfane
CID 88523413
1-(4-heptylcyclohexyl)-4-(4-propylphenyl)benzene
CID 20538985
1-(4-hexylcyclohexyl)-4-(4-propylphenyl)benzene
CID 20539374
1-[4-(4-pentylcyclohexyl)cyclohexyl]-4-(trifluoromethyl)benzene
CID 14985198
1-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-diene
CID 121476314
1-[4-[4-(5-fluoropentyl)cyclohexyl]cyclohexyl]-4-(4-pentylphenyl)benzene
CID 21265277
pentafluoro-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]-λ6-sulfane
CID 54316605

Frequently Asked Questions

What is the IUPAC name of 5,5,6,6-tetrafluoro-1-[[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]methoxy]-4-propylcyclohexa-1,3-diene?
The IUPAC name of 5,5,6,6-tetrafluoro-1-[[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]methoxy]-4-propylcyclohexa-1,3-diene (CID 121476370) is 5,5,6,6-tetrafluoro-1-[[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]methoxy]-4-propylcyclohexa-1,3-diene.
What is the SMILES notation for 5,5,6,6-tetrafluoro-1-[[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]methoxy]-4-propylcyclohexa-1,3-diene?
The canonical SMILES for 5,5,6,6-tetrafluoro-1-[[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]methoxy]-4-propylcyclohexa-1,3-diene is CCCCCC1CCC(C2CCC(c3ccc(COC4=CC=C(CCC)C(F)(F)C4(F)F)cc3)CC2)CC1.
What is the InChIKey of 5,5,6,6-tetrafluoro-1-[[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]methoxy]-4-propylcyclohexa-1,3-diene?
The InChIKey is REVBHYLGDOZNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H46F4O/c1-3-5-6-8-24-9-13-26(14-10-24)28-17-19-29(20-18-28)27-15-11-25(12-16-27)23-38-31-22-21-30(7-4-2)32(34,35)33(31,36)37/h11-12,15-16,21-22,24,26,28-29H,3-10,13-14,17-20,23H2,1-2H3.
What are the key properties of 5,5,6,6-tetrafluoro-1-[[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]methoxy]-4-propylcyclohexa-1,3-diene?
5,5,6,6-tetrafluoro-1-[[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]methoxy]-4-propylcyclohexa-1,3-diene has a molecular weight of 534.72 g/mol, XLogP of 10.76, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,6,6-tetrafluoro-1-[[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]methoxy]-4-propylcyclohexa-1,3-diene is sourced from PubChem (CID 121476370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).