(2E,4E)-5-ethenyl-1,1,1-trifluoro-2,6,7,7-tetramethylocta-2,4-diene

C14H21F3 — CID 155261834

IUPAC(2E,4E)-5-ethenyl-1,1,1-trifluoro-2,6,7,7-tetramethylocta-2,4-diene
SMILESC=C/C(=C\C=C(/C)C(F)(F)F)C(C)C(C)(C)C
InChIInChI=1S/C14H21F3/c1-7-12(11(3)13(4,5)6)9-8-10(2)14(15,16)17/h7-9,11H,1H2,2-6H3/b10-8+,12-9+
InChIKeyCQHOYOSWKPCPGY-AXDLQRQNSA-N
MW246.32 g/mol
LogP5.29
Rot. Bonds3

About (2E,4E)-5-ethenyl-1,1,1-trifluoro-2,6,7,7-tetramethylocta-2,4-diene

(2E,4E)-5-ethenyl-1,1,1-trifluoro-2,6,7,7-tetramethylocta-2,4-diene (PubChem CID 155261834) has the molecular formula C14H21F3 and a molecular weight of 246.32 g/mol. Its IUPAC name is (2E,4E)-5-ethenyl-1,1,1-trifluoro-2,6,7,7-tetramethylocta-2,4-diene.

Molecular Properties

Compound Name(2E,4E)-5-ethenyl-1,1,1-trifluoro-2,6,7,7-tetramethylocta-2,4-diene
PubChem CID155261834
Molecular FormulaC14H21F3
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC Name(2E,4E)-5-ethenyl-1,1,1-trifluoro-2,6,7,7-tetramethylocta-2,4-diene
SMILESC=C/C(=C\C=C(/C)C(F)(F)F)C(C)C(C)(C)C
InChIInChI=1S/C14H21F3/c1-7-12(11(3)13(4,5)6)9-8-10(2)14(15,16)17/h7-9,11H,1H2,2-6H3/b10-8+,12-9+
InChIKeyCQHOYOSWKPCPGY-AXDLQRQNSA-N
XLogP5.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.32
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

N-[(3E,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-3-yl]acetamide
CID 122661471
(2E,4E)-6,6,6-trifluoro-5-methylhexa-2,4-dien-2-amine
CID 130203930
N-[(1E,3E)-1-chloro-5,5,5-trifluoro-4-methylpenta-1,3-dienyl]methanimine
CID 126510662
(3Z)-6-fluoro-5,5,6-trimethyl-3-propan-2-ylhepta-1,3-diene
CID 134578289
N-[(2Z,4Z)-5-propan-2-ylhepta-2,4,6-trien-2-yl]methanimine
CID 174337124
(4R,5E)-7,7,7-trifluoro-4,6-dimethylhepta-1,5-diene
CID 90261567
(3E,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-4-ol
CID 143407155
ethane;(3S)-2,3,4,4-tetramethylpent-1-ene
CID 145347239
2-fluoro-2-methylpropane;bis(2-methylpropane);2-methylprop-1-ene
CID 157176532
2,2-difluoropropane;bis(2-methylpropane);bis(2-methylprop-1-ene)
CID 160802962
(2Z)-6-ethenyl-7,8,8-trimethylnona-2,5-diene;phenol
CID 142208267
(3E,5E)-7-methyl-3-(trifluoromethyl)octa-1,3,5-triene
CID 143576225

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5-ethenyl-1,1,1-trifluoro-2,6,7,7-tetramethylocta-2,4-diene?
The IUPAC name of (2E,4E)-5-ethenyl-1,1,1-trifluoro-2,6,7,7-tetramethylocta-2,4-diene (CID 155261834) is (2E,4E)-5-ethenyl-1,1,1-trifluoro-2,6,7,7-tetramethylocta-2,4-diene.
What is the SMILES notation for (2E,4E)-5-ethenyl-1,1,1-trifluoro-2,6,7,7-tetramethylocta-2,4-diene?
The canonical SMILES for (2E,4E)-5-ethenyl-1,1,1-trifluoro-2,6,7,7-tetramethylocta-2,4-diene is C=C/C(=C\C=C(/C)C(F)(F)F)C(C)C(C)(C)C.
What is the InChIKey of (2E,4E)-5-ethenyl-1,1,1-trifluoro-2,6,7,7-tetramethylocta-2,4-diene?
The InChIKey is CQHOYOSWKPCPGY-AXDLQRQNSA-N. The full InChI is InChI=1S/C14H21F3/c1-7-12(11(3)13(4,5)6)9-8-10(2)14(15,16)17/h7-9,11H,1H2,2-6H3/b10-8+,12-9+.
What are the key properties of (2E,4E)-5-ethenyl-1,1,1-trifluoro-2,6,7,7-tetramethylocta-2,4-diene?
(2E,4E)-5-ethenyl-1,1,1-trifluoro-2,6,7,7-tetramethylocta-2,4-diene has a molecular weight of 246.32 g/mol, XLogP of 5.29, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-ethenyl-1,1,1-trifluoro-2,6,7,7-tetramethylocta-2,4-diene is sourced from PubChem (CID 155261834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).