(2E,4Z,6R)-6-methyl-4-(2,2,2-trifluoroethyl)octa-2,4-diene

C11H17F3 — CID 143337028

IUPAC(2E,4Z,6R)-6-methyl-4-(2,2,2-trifluoroethyl)octa-2,4-diene
SMILESC/C=C/C(=C\[C@H](C)CC)CC(F)(F)F
InChIInChI=1S/C11H17F3/c1-4-6-10(7-9(3)5-2)8-11(12,13)14/h4,6-7,9H,5,8H2,1-3H3/b6-4+,10-7+/t9-/m1/s1
InChIKeyPVACHLUVTGGKQL-YLHJHGDXSA-N
MW206.25 g/mol
LogP4.49
Rot. Bonds4

About (2E,4Z,6R)-6-methyl-4-(2,2,2-trifluoroethyl)octa-2,4-diene

(2E,4Z,6R)-6-methyl-4-(2,2,2-trifluoroethyl)octa-2,4-diene (PubChem CID 143337028) has the molecular formula C11H17F3 and a molecular weight of 206.25 g/mol. Its IUPAC name is (2E,4Z,6R)-6-methyl-4-(2,2,2-trifluoroethyl)octa-2,4-diene.

Molecular Properties

Compound Name(2E,4Z,6R)-6-methyl-4-(2,2,2-trifluoroethyl)octa-2,4-diene
PubChem CID143337028
Molecular FormulaC11H17F3
Molecular Weight206.25 g/mol
Exact Mass206.13
IUPAC Name(2E,4Z,6R)-6-methyl-4-(2,2,2-trifluoroethyl)octa-2,4-diene
SMILESC/C=C/C(=C\[C@H](C)CC)CC(F)(F)F
InChIInChI=1S/C11H17F3/c1-4-6-10(7-9(3)5-2)8-11(12,13)14/h4,6-7,9H,5,8H2,1-3H3/b6-4+,10-7+/t9-/m1/s1
InChIKeyPVACHLUVTGGKQL-YLHJHGDXSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 54.49
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

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(4R)-2,4-dimethylhex-2-ene
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(E)-3-fluoro-5-methylhept-3-en-2-amine
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(E,5S)-3,5-dimethylhept-3-ene
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N-[(E)-4-methylhex-2-en-2-yl]ethanimine
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ethane;[(3E,5Z)-2-methyl-4-(prop-2-enoyloxymethyl)hepta-3,5-dienyl] prop-2-enoate
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(2Z)-N,4,6-trimethylocta-2,4-dien-3-amine
CID 166865760

Frequently Asked Questions

What is the IUPAC name of (2E,4Z,6R)-6-methyl-4-(2,2,2-trifluoroethyl)octa-2,4-diene?
The IUPAC name of (2E,4Z,6R)-6-methyl-4-(2,2,2-trifluoroethyl)octa-2,4-diene (CID 143337028) is (2E,4Z,6R)-6-methyl-4-(2,2,2-trifluoroethyl)octa-2,4-diene.
What is the SMILES notation for (2E,4Z,6R)-6-methyl-4-(2,2,2-trifluoroethyl)octa-2,4-diene?
The canonical SMILES for (2E,4Z,6R)-6-methyl-4-(2,2,2-trifluoroethyl)octa-2,4-diene is C/C=C/C(=C\[C@H](C)CC)CC(F)(F)F.
What is the InChIKey of (2E,4Z,6R)-6-methyl-4-(2,2,2-trifluoroethyl)octa-2,4-diene?
The InChIKey is PVACHLUVTGGKQL-YLHJHGDXSA-N. The full InChI is InChI=1S/C11H17F3/c1-4-6-10(7-9(3)5-2)8-11(12,13)14/h4,6-7,9H,5,8H2,1-3H3/b6-4+,10-7+/t9-/m1/s1.
What are the key properties of (2E,4Z,6R)-6-methyl-4-(2,2,2-trifluoroethyl)octa-2,4-diene?
(2E,4Z,6R)-6-methyl-4-(2,2,2-trifluoroethyl)octa-2,4-diene has a molecular weight of 206.25 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z,6R)-6-methyl-4-(2,2,2-trifluoroethyl)octa-2,4-diene is sourced from PubChem (CID 143337028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).