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

C8H13F3 — CID 162602319

IUPAC(E)-3-methyl-4-(trifluoromethyl)hex-3-ene
SMILESCC/C(C)=C(\CC)C(F)(F)F
InChIInChI=1S/C8H13F3/c1-4-6(3)7(5-2)8(9,10)11/h4-5H2,1-3H3/b7-6+
InChIKeySUYLMLZEEVHAPR-VOTSOKGWSA-N
MW166.19 g/mol
LogP3.69
Rot. Bonds2

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

(E)-3-methyl-4-(trifluoromethyl)hex-3-ene (PubChem CID 162602319) has the molecular formula C8H13F3 and a molecular weight of 166.19 g/mol. Its IUPAC name is (E)-3-methyl-4-(trifluoromethyl)hex-3-ene.

Molecular Properties

Compound Name(E)-3-methyl-4-(trifluoromethyl)hex-3-ene
PubChem CID162602319
Molecular FormulaC8H13F3
Molecular Weight166.19 g/mol
Exact Mass166.10
IUPAC Name(E)-3-methyl-4-(trifluoromethyl)hex-3-ene
SMILESCC/C(C)=C(\CC)C(F)(F)F
InChIInChI=1S/C8H13F3/c1-4-6(3)7(5-2)8(9,10)11/h4-5H2,1-3H3/b7-6+
InChIKeySUYLMLZEEVHAPR-VOTSOKGWSA-N
XLogP3.69
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 ≤ 53.69
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)-3-methyl-4-(trifluoromethyl)hex-3-ene?
The IUPAC name of (E)-3-methyl-4-(trifluoromethyl)hex-3-ene (CID 162602319) is (E)-3-methyl-4-(trifluoromethyl)hex-3-ene.
What is the SMILES notation for (E)-3-methyl-4-(trifluoromethyl)hex-3-ene?
The canonical SMILES for (E)-3-methyl-4-(trifluoromethyl)hex-3-ene is CC/C(C)=C(\CC)C(F)(F)F.
What is the InChIKey of (E)-3-methyl-4-(trifluoromethyl)hex-3-ene?
The InChIKey is SUYLMLZEEVHAPR-VOTSOKGWSA-N. The full InChI is InChI=1S/C8H13F3/c1-4-6(3)7(5-2)8(9,10)11/h4-5H2,1-3H3/b7-6+.
What are the key properties of (E)-3-methyl-4-(trifluoromethyl)hex-3-ene?
(E)-3-methyl-4-(trifluoromethyl)hex-3-ene has a molecular weight of 166.19 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methyl-4-(trifluoromethyl)hex-3-ene is sourced from PubChem (CID 162602319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).