(E)-4-methyl-3-(trifluoromethyl)hex-2-ene

C8H13F3 — CID 162547345

IUPAC(E)-4-methyl-3-(trifluoromethyl)hex-2-ene
SMILESC/C=C(\C(C)CC)C(F)(F)F
InChIInChI=1S/C8H13F3/c1-4-6(3)7(5-2)8(9,10)11/h5-6H,4H2,1-3H3/b7-5+
InChIKeyUAESYKHYKUUASC-FNORWQNLSA-N
MW166.19 g/mol
LogP3.54
Rot. Bonds2

About (E)-4-methyl-3-(trifluoromethyl)hex-2-ene

(E)-4-methyl-3-(trifluoromethyl)hex-2-ene (PubChem CID 162547345) has the molecular formula C8H13F3 and a molecular weight of 166.19 g/mol. Its IUPAC name is (E)-4-methyl-3-(trifluoromethyl)hex-2-ene.

Molecular Properties

Compound Name(E)-4-methyl-3-(trifluoromethyl)hex-2-ene
PubChem CID162547345
Molecular FormulaC8H13F3
Molecular Weight166.19 g/mol
Exact Mass166.10
IUPAC Name(E)-4-methyl-3-(trifluoromethyl)hex-2-ene
SMILESC/C=C(\C(C)CC)C(F)(F)F
InChIInChI=1S/C8H13F3/c1-4-6(3)7(5-2)8(9,10)11/h5-6H,4H2,1-3H3/b7-5+
InChIKeyUAESYKHYKUUASC-FNORWQNLSA-N
XLogP3.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.19
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-4-methyl-3-(trifluoromethyl)hex-2-ene?
The IUPAC name of (E)-4-methyl-3-(trifluoromethyl)hex-2-ene (CID 162547345) is (E)-4-methyl-3-(trifluoromethyl)hex-2-ene.
What is the SMILES notation for (E)-4-methyl-3-(trifluoromethyl)hex-2-ene?
The canonical SMILES for (E)-4-methyl-3-(trifluoromethyl)hex-2-ene is C/C=C(\C(C)CC)C(F)(F)F.
What is the InChIKey of (E)-4-methyl-3-(trifluoromethyl)hex-2-ene?
The InChIKey is UAESYKHYKUUASC-FNORWQNLSA-N. The full InChI is InChI=1S/C8H13F3/c1-4-6(3)7(5-2)8(9,10)11/h5-6H,4H2,1-3H3/b7-5+.
What are the key properties of (E)-4-methyl-3-(trifluoromethyl)hex-2-ene?
(E)-4-methyl-3-(trifluoromethyl)hex-2-ene has a molecular weight of 166.19 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-methyl-3-(trifluoromethyl)hex-2-ene is sourced from PubChem (CID 162547345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).