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

C25H38F4 — CID 121476149

IUPAC1-ethyl-5,5,6,6-tetrafluoro-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]cyclohexa-1,3-diene
SMILESCCCC1CCC(C2CCC(CCC3=CC=C(CC)C(F)(F)C3(F)F)CC2)CC1
InChIInChI=1S/C25H38F4/c1-3-5-18-6-11-20(12-7-18)21-13-8-19(9-14-21)10-15-23-17-16-22(4-2)24(26,27)25(23,28)29/h16-21H,3-15H2,1-2H3
InChIKeyPMWOXTGKGVTCEM-UHFFFAOYSA-N
MW414.57 g/mol
LogP8.73
Rot. Bonds7

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

1-ethyl-5,5,6,6-tetrafluoro-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]cyclohexa-1,3-diene (PubChem CID 121476149) has the molecular formula C25H38F4 and a molecular weight of 414.57 g/mol. Its IUPAC name is 1-ethyl-5,5,6,6-tetrafluoro-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]cyclohexa-1,3-diene.

Molecular Properties

Compound Name1-ethyl-5,5,6,6-tetrafluoro-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]cyclohexa-1,3-diene
PubChem CID121476149
Molecular FormulaC25H38F4
Molecular Weight414.57 g/mol
Exact Mass414.29
IUPAC Name1-ethyl-5,5,6,6-tetrafluoro-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]cyclohexa-1,3-diene
SMILESCCCC1CCC(C2CCC(CCC3=CC=C(CC)C(F)(F)C3(F)F)CC2)CC1
InChIInChI=1S/C25H38F4/c1-3-5-18-6-11-20(12-7-18)21-13-8-19(9-14-21)10-15-23-17-16-22(4-2)24(26,27)25(23,28)29/h16-21H,3-15H2,1-2H3
InChIKeyPMWOXTGKGVTCEM-UHFFFAOYSA-N
XLogP8.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.57
LogP ≤ 58.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-ethyl-5,5,6,6-tetrafluoro-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]cyclohexa-1,3-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-diene
CID 121476314
5,5,6,6-tetrafluoro-1-(4-propylcyclohexyl)-4-[2-(4-propylphenyl)ethyl]cyclohexa-1,3-diene
CID 121476332
1,1-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexane
CID 101074767
1-[2-[2,3-difluoro-4-(4-propylcyclohexyl)phenyl]ethyl]-5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-diene
CID 121476301
2-[4-(4-propylcyclohexyl)cyclohexyl]ethylbenzene
CID 22157204
1-(2-fluoroethyl)-4-(4-propylcyclohexyl)cyclohexane
CID 18344046
1-[4-(2-fluoroethyl)cyclohexyl]-4-(4-propylcyclohexyl)cyclohexane
CID 18344057
1-methyl-4-(4-propylcyclohexyl)cyclohexane
CID 543958
1,2,3-trifluoro-3-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]cyclohexa-1,4-diene
CID 22373800
1-[(1R,4S)-2,2-difluoro-4-(4-propylcyclohexyl)cyclohexyl]-4-ethylbenzene
CID 139604028
ethane;propane;propylcyclopropane
CID 145406182
5,5,6,6-tetrafluoro-1-[[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]methoxy]-4-propylcyclohexa-1,3-diene
CID 121476370

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5,5,6,6-tetrafluoro-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]cyclohexa-1,3-diene?
The IUPAC name of 1-ethyl-5,5,6,6-tetrafluoro-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]cyclohexa-1,3-diene (CID 121476149) is 1-ethyl-5,5,6,6-tetrafluoro-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]cyclohexa-1,3-diene.
What is the SMILES notation for 1-ethyl-5,5,6,6-tetrafluoro-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]cyclohexa-1,3-diene?
The canonical SMILES for 1-ethyl-5,5,6,6-tetrafluoro-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]cyclohexa-1,3-diene is CCCC1CCC(C2CCC(CCC3=CC=C(CC)C(F)(F)C3(F)F)CC2)CC1.
What is the InChIKey of 1-ethyl-5,5,6,6-tetrafluoro-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]cyclohexa-1,3-diene?
The InChIKey is PMWOXTGKGVTCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38F4/c1-3-5-18-6-11-20(12-7-18)21-13-8-19(9-14-21)10-15-23-17-16-22(4-2)24(26,27)25(23,28)29/h16-21H,3-15H2,1-2H3.
What are the key properties of 1-ethyl-5,5,6,6-tetrafluoro-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]cyclohexa-1,3-diene?
1-ethyl-5,5,6,6-tetrafluoro-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]cyclohexa-1,3-diene has a molecular weight of 414.57 g/mol, XLogP of 8.73, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5,5,6,6-tetrafluoro-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]cyclohexa-1,3-diene is sourced from PubChem (CID 121476149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).