ethane;(3E,5E)-4-ethyl-6-methyl-3-(trifluoromethyl)octa-1,3,5,7-tetraene

C14H21F3 — CID 145071766

IUPACethane;(3E,5E)-4-ethyl-6-methyl-3-(trifluoromethyl)octa-1,3,5,7-tetraene
SMILESC=C/C(C)=C/C(CC)=C(\C=C)C(F)(F)F.CC
InChIInChI=1S/C12H15F3.C2H6/c1-5-9(4)8-10(6-2)11(7-3)12(13,14)15;1-2/h5,7-8H,1,3,6H2,2,4H3;1-2H3/b9-8+,11-10+;
InChIKeyKZCGSEFKVHTLPE-YIUKEKEQSA-N
MW246.32 g/mol
LogP5.60
Rot. Bonds4

About ethane;(3E,5E)-4-ethyl-6-methyl-3-(trifluoromethyl)octa-1,3,5,7-tetraene

ethane;(3E,5E)-4-ethyl-6-methyl-3-(trifluoromethyl)octa-1,3,5,7-tetraene (PubChem CID 145071766) has the molecular formula C14H21F3 and a molecular weight of 246.32 g/mol. Its IUPAC name is ethane;(3E,5E)-4-ethyl-6-methyl-3-(trifluoromethyl)octa-1,3,5,7-tetraene.

Molecular Properties

Compound Nameethane;(3E,5E)-4-ethyl-6-methyl-3-(trifluoromethyl)octa-1,3,5,7-tetraene
PubChem CID145071766
Molecular FormulaC14H21F3
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC Nameethane;(3E,5E)-4-ethyl-6-methyl-3-(trifluoromethyl)octa-1,3,5,7-tetraene
SMILESC=C/C(C)=C/C(CC)=C(\C=C)C(F)(F)F.CC
InChIInChI=1S/C12H15F3.C2H6/c1-5-9(4)8-10(6-2)11(7-3)12(13,14)15;1-2/h5,7-8H,1,3,6H2,2,4H3;1-2H3/b9-8+,11-10+;
InChIKeyKZCGSEFKVHTLPE-YIUKEKEQSA-N
XLogP5.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.32
LogP ≤ 55.60
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

ethane;(2Z)-3-(trifluoromethyl)penta-2,4-dien-2-ol
CID 145372548
(3Z)-4-(trifluoromethyl)hexa-3,5-dien-3-ol
CID 130281756
(3E)-5-ethyl-6-methyl-3-(trifluoromethyl)hepta-1,3,5-triene
CID 163624463
ethane;(3Z,5Z)-5-ethylidene-3-methylocta-1,3-diene
CID 143267495
(3Z)-1,1,1-trifluoro-N,4-dimethylhexa-3,5-dien-2-imine
CID 177050310
ethane;(Z)-2-[(1Z)-2-methylbuta-1,3-dienyl]but-2-ene-1,3-diamine
CID 142966093
(2Z,4Z)-1,1-difluoro-1-iodo-2,5-dimethylhepta-2,4,6-trien-3-ol
CID 166907268
ethane;(3Z)-3-methylpenta-1,3-diene;propane
CID 143719744
1,1-difluoro-2-(trifluoromethyl)buta-1,3-diene
CID 15204769
(3Z,5E)-9-fluoro-3,6,9-trimethyldeca-1,3,5-triene
CID 167003915
(3Z,5E)-5-ethoxy-3-methylhepta-1,3,5-triene
CID 131995054
(2E,4E)-3-ethylhepta-2,4,6-triene-2,5-diol
CID 142132997

Frequently Asked Questions

What is the IUPAC name of ethane;(3E,5E)-4-ethyl-6-methyl-3-(trifluoromethyl)octa-1,3,5,7-tetraene?
The IUPAC name of ethane;(3E,5E)-4-ethyl-6-methyl-3-(trifluoromethyl)octa-1,3,5,7-tetraene (CID 145071766) is ethane;(3E,5E)-4-ethyl-6-methyl-3-(trifluoromethyl)octa-1,3,5,7-tetraene.
What is the SMILES notation for ethane;(3E,5E)-4-ethyl-6-methyl-3-(trifluoromethyl)octa-1,3,5,7-tetraene?
The canonical SMILES for ethane;(3E,5E)-4-ethyl-6-methyl-3-(trifluoromethyl)octa-1,3,5,7-tetraene is C=C/C(C)=C/C(CC)=C(\C=C)C(F)(F)F.CC.
What is the InChIKey of ethane;(3E,5E)-4-ethyl-6-methyl-3-(trifluoromethyl)octa-1,3,5,7-tetraene?
The InChIKey is KZCGSEFKVHTLPE-YIUKEKEQSA-N. The full InChI is InChI=1S/C12H15F3.C2H6/c1-5-9(4)8-10(6-2)11(7-3)12(13,14)15;1-2/h5,7-8H,1,3,6H2,2,4H3;1-2H3/b9-8+,11-10+;.
What are the key properties of ethane;(3E,5E)-4-ethyl-6-methyl-3-(trifluoromethyl)octa-1,3,5,7-tetraene?
ethane;(3E,5E)-4-ethyl-6-methyl-3-(trifluoromethyl)octa-1,3,5,7-tetraene has a molecular weight of 246.32 g/mol, XLogP of 5.60, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3E,5E)-4-ethyl-6-methyl-3-(trifluoromethyl)octa-1,3,5,7-tetraene is sourced from PubChem (CID 145071766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).