1-ethoxy-5,5,6,6-tetrafluoro-4-(4-methylcyclohexyl)cyclohexa-1,3-diene

C15H20F4O — CID 121478605

IUPAC1-ethoxy-5,5,6,6-tetrafluoro-4-(4-methylcyclohexyl)cyclohexa-1,3-diene
SMILESCCOC1=CC=C(C2CCC(C)CC2)C(F)(F)C1(F)F
InChIInChI=1S/C15H20F4O/c1-3-20-13-9-8-12(14(16,17)15(13,18)19)11-6-4-10(2)5-7-11/h8-11H,3-7H2,1-2H3
InChIKeyCOYZHBFJUKYRGB-UHFFFAOYSA-N
MW292.32 g/mol
LogP4.94
Rot. Bonds3

About 1-ethoxy-5,5,6,6-tetrafluoro-4-(4-methylcyclohexyl)cyclohexa-1,3-diene

1-ethoxy-5,5,6,6-tetrafluoro-4-(4-methylcyclohexyl)cyclohexa-1,3-diene (PubChem CID 121478605) has the molecular formula C15H20F4O and a molecular weight of 292.32 g/mol. Its IUPAC name is 1-ethoxy-5,5,6,6-tetrafluoro-4-(4-methylcyclohexyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name1-ethoxy-5,5,6,6-tetrafluoro-4-(4-methylcyclohexyl)cyclohexa-1,3-diene
PubChem CID121478605
Molecular FormulaC15H20F4O
Molecular Weight292.32 g/mol
Exact Mass292.15
IUPAC Name1-ethoxy-5,5,6,6-tetrafluoro-4-(4-methylcyclohexyl)cyclohexa-1,3-diene
SMILESCCOC1=CC=C(C2CCC(C)CC2)C(F)(F)C1(F)F
InChIInChI=1S/C15H20F4O/c1-3-20-13-9-8-12(14(16,17)15(13,18)19)11-6-4-10(2)5-7-11/h8-11H,3-7H2,1-2H3
InChIKeyCOYZHBFJUKYRGB-UHFFFAOYSA-N
XLogP4.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-ethoxy-5,5,6,6-tetrafluoro-4-(4-methylcyclohexyl)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-[2-[4-[Difluoro-(4-methylcyclohexyl)methoxy]cyclohexyl]ethyl]-3,5-difluorobenzene-4-ide;ytterbium
CID 20625677
1-(Fluoromethoxy)-4-(4-methylcyclohexyl)cyclohexene
CID 21337851
1-ethoxy-5,6-difluoro-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexa-1,3-diene
CID 71018135
2-[difluoro-(3,4,5-trifluorocyclohexyl)oxymethyl]-1,3-difluoro-5-[(E)-pent-3-enyl]cyclohexane
CID 88900119
1-[(4-but-3-enylcyclohexyl)methoxy]-2,3-difluoro-4-[4-[(E)-2-(4-pentylcyclohexyl)ethenyl]cyclohex-2-en-1-yl]cyclohexa-1,3-diene
CID 89849529
5-propyl-2-[4-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]cyclohexyl]oxane
CID 117946248
5-propyl-2-[2-[4-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]cyclohexyl]ethyl]oxane
CID 117946281
1-propyl-4-[[4-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]cyclohexyl]oxymethyl]cyclohexane
CID 117946297
(3R,5R)-3-cyclopropyl-1-ethoxy-5-ethyl-2-[(4R)-4-fluorocyclohexen-1-yl]cyclohexene
CID 118018397
(3R)-3-cyclopropyl-1-ethoxy-5-ethyl-2-[(4R)-4-fluorocyclohexen-1-yl]cyclohexene
CID 118018452
(3S,5R)-3-butyl-1-ethoxy-5-ethyl-2-[(4R)-4-fluorocyclohexen-1-yl]cyclohexene
CID 118018547
1-Ethenyl-2,3,5,6-tetrafluoro-4-[[4-(methoxymethyl)cyclohexyl]methoxy]cyclohexa-1,3-diene
CID 118882410

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-5,5,6,6-tetrafluoro-4-(4-methylcyclohexyl)cyclohexa-1,3-diene?
The IUPAC name of 1-ethoxy-5,5,6,6-tetrafluoro-4-(4-methylcyclohexyl)cyclohexa-1,3-diene (CID 121478605) is 1-ethoxy-5,5,6,6-tetrafluoro-4-(4-methylcyclohexyl)cyclohexa-1,3-diene.
What is the SMILES notation for 1-ethoxy-5,5,6,6-tetrafluoro-4-(4-methylcyclohexyl)cyclohexa-1,3-diene?
The canonical SMILES for 1-ethoxy-5,5,6,6-tetrafluoro-4-(4-methylcyclohexyl)cyclohexa-1,3-diene is CCOC1=CC=C(C2CCC(C)CC2)C(F)(F)C1(F)F.
What is the InChIKey of 1-ethoxy-5,5,6,6-tetrafluoro-4-(4-methylcyclohexyl)cyclohexa-1,3-diene?
The InChIKey is COYZHBFJUKYRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F4O/c1-3-20-13-9-8-12(14(16,17)15(13,18)19)11-6-4-10(2)5-7-11/h8-11H,3-7H2,1-2H3.
What are the key properties of 1-ethoxy-5,5,6,6-tetrafluoro-4-(4-methylcyclohexyl)cyclohexa-1,3-diene?
1-ethoxy-5,5,6,6-tetrafluoro-4-(4-methylcyclohexyl)cyclohexa-1,3-diene has a molecular weight of 292.32 g/mol, XLogP of 4.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-5,5,6,6-tetrafluoro-4-(4-methylcyclohexyl)cyclohexa-1,3-diene is sourced from PubChem (CID 121478605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).