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

C25H38F4O — CID 121476157

IUPAC5,5,6,6-tetrafluoro-1-propyl-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]cyclohexa-1,3-diene
SMILESCCCC1=CC=C(OCC2CCC(C3CCC(CCC)CC3)CC2)C(F)(F)C1(F)F
InChIInChI=1S/C25H38F4O/c1-3-5-18-7-11-20(12-8-18)21-13-9-19(10-14-21)17-30-23-16-15-22(6-4-2)24(26,27)25(23,28)29/h15-16,18-21H,3-14,17H2,1-2H3
InChIKeyLFNRFGNSLFVRBS-UHFFFAOYSA-N
MW430.57 g/mol
LogP8.31
Rot. Bonds8

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

5,5,6,6-tetrafluoro-1-propyl-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]cyclohexa-1,3-diene (PubChem CID 121476157) has the molecular formula C25H38F4O and a molecular weight of 430.57 g/mol. Its IUPAC name is 5,5,6,6-tetrafluoro-1-propyl-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]cyclohexa-1,3-diene.

Molecular Properties

Compound Name5,5,6,6-tetrafluoro-1-propyl-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]cyclohexa-1,3-diene
PubChem CID121476157
Molecular FormulaC25H38F4O
Molecular Weight430.57 g/mol
Exact Mass430.29
IUPAC Name5,5,6,6-tetrafluoro-1-propyl-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]cyclohexa-1,3-diene
SMILESCCCC1=CC=C(OCC2CCC(C3CCC(CCC)CC3)CC2)C(F)(F)C1(F)F
InChIInChI=1S/C25H38F4O/c1-3-5-18-7-11-20(12-8-18)21-13-9-19(10-14-21)17-30-23-16-15-22(6-4-2)24(26,27)25(23,28)29/h15-16,18-21H,3-14,17H2,1-2H3
InChIKeyLFNRFGNSLFVRBS-UHFFFAOYSA-N
XLogP8.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.57
LogP ≤ 58.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5,6,6-tetrafluoro-1-propyl-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]cyclohexa-1,3-diene?
The IUPAC name of 5,5,6,6-tetrafluoro-1-propyl-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]cyclohexa-1,3-diene (CID 121476157) is 5,5,6,6-tetrafluoro-1-propyl-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]cyclohexa-1,3-diene.
What is the SMILES notation for 5,5,6,6-tetrafluoro-1-propyl-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]cyclohexa-1,3-diene?
The canonical SMILES for 5,5,6,6-tetrafluoro-1-propyl-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]cyclohexa-1,3-diene is CCCC1=CC=C(OCC2CCC(C3CCC(CCC)CC3)CC2)C(F)(F)C1(F)F.
What is the InChIKey of 5,5,6,6-tetrafluoro-1-propyl-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]cyclohexa-1,3-diene?
The InChIKey is LFNRFGNSLFVRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38F4O/c1-3-5-18-7-11-20(12-8-18)21-13-9-19(10-14-21)17-30-23-16-15-22(6-4-2)24(26,27)25(23,28)29/h15-16,18-21H,3-14,17H2,1-2H3.
What are the key properties of 5,5,6,6-tetrafluoro-1-propyl-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]cyclohexa-1,3-diene?
5,5,6,6-tetrafluoro-1-propyl-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]cyclohexa-1,3-diene has a molecular weight of 430.57 g/mol, XLogP of 8.31, 8 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-propyl-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]cyclohexa-1,3-diene is sourced from PubChem (CID 121476157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).