1,3,4,6-tetramethyl-3,6-bis(1,1,2,2,2-pentafluoroethyl)cyclohexa-1,4-diene

C14H14F10 — CID 18795057

IUPAC1,3,4,6-tetramethyl-3,6-bis(1,1,2,2,2-pentafluoroethyl)cyclohexa-1,4-diene
SMILESCC1=CC(C)(C(F)(F)C(F)(F)F)C(C)=CC1(C)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H14F10/c1-7-5-10(4,12(17,18)14(22,23)24)8(2)6-9(7,3)11(15,16)13(19,20)21/h5-6H,1-4H3
InChIKeyTYUSZWWZJIUPJI-UHFFFAOYSA-N
MW372.25 g/mol
LogP6.30
Rot. Bonds2

About 1,3,4,6-tetramethyl-3,6-bis(1,1,2,2,2-pentafluoroethyl)cyclohexa-1,4-diene

1,3,4,6-tetramethyl-3,6-bis(1,1,2,2,2-pentafluoroethyl)cyclohexa-1,4-diene (PubChem CID 18795057) has the molecular formula C14H14F10 and a molecular weight of 372.25 g/mol. Its IUPAC name is 1,3,4,6-tetramethyl-3,6-bis(1,1,2,2,2-pentafluoroethyl)cyclohexa-1,4-diene.

Molecular Properties

Compound Name1,3,4,6-tetramethyl-3,6-bis(1,1,2,2,2-pentafluoroethyl)cyclohexa-1,4-diene
PubChem CID18795057
Molecular FormulaC14H14F10
Molecular Weight372.25 g/mol
Exact Mass372.09
IUPAC Name1,3,4,6-tetramethyl-3,6-bis(1,1,2,2,2-pentafluoroethyl)cyclohexa-1,4-diene
SMILESCC1=CC(C)(C(F)(F)C(F)(F)F)C(C)=CC1(C)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H14F10/c1-7-5-10(4,12(17,18)14(22,23)24)8(2)6-9(7,3)11(15,16)13(19,20)21/h5-6H,1-4H3
InChIKeyTYUSZWWZJIUPJI-UHFFFAOYSA-N
XLogP6.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.25
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,3,4,6-tetramethyl-3,6-bis(1,1,2,2,2-pentafluoroethyl)cyclohexa-1,4-diene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3,4,6-tetramethyl-3,6-bis(1,1,2,2,2-pentafluoroethyl)cyclohexa-1,4-diene?
The IUPAC name of 1,3,4,6-tetramethyl-3,6-bis(1,1,2,2,2-pentafluoroethyl)cyclohexa-1,4-diene (CID 18795057) is 1,3,4,6-tetramethyl-3,6-bis(1,1,2,2,2-pentafluoroethyl)cyclohexa-1,4-diene.
What is the SMILES notation for 1,3,4,6-tetramethyl-3,6-bis(1,1,2,2,2-pentafluoroethyl)cyclohexa-1,4-diene?
The canonical SMILES for 1,3,4,6-tetramethyl-3,6-bis(1,1,2,2,2-pentafluoroethyl)cyclohexa-1,4-diene is CC1=CC(C)(C(F)(F)C(F)(F)F)C(C)=CC1(C)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,3,4,6-tetramethyl-3,6-bis(1,1,2,2,2-pentafluoroethyl)cyclohexa-1,4-diene?
The InChIKey is TYUSZWWZJIUPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F10/c1-7-5-10(4,12(17,18)14(22,23)24)8(2)6-9(7,3)11(15,16)13(19,20)21/h5-6H,1-4H3.
What are the key properties of 1,3,4,6-tetramethyl-3,6-bis(1,1,2,2,2-pentafluoroethyl)cyclohexa-1,4-diene?
1,3,4,6-tetramethyl-3,6-bis(1,1,2,2,2-pentafluoroethyl)cyclohexa-1,4-diene has a molecular weight of 372.25 g/mol, XLogP of 6.30, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,6-tetramethyl-3,6-bis(1,1,2,2,2-pentafluoroethyl)cyclohexa-1,4-diene is sourced from PubChem (CID 18795057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).