2,4-dimethyl-3-(trifluoromethyl)pent-2-ene

C8H13F3 — CID 23384782

IUPAC2,4-dimethyl-3-(trifluoromethyl)pent-2-ene
SMILESCC(C)=C(C(C)C)C(F)(F)F
InChIInChI=1S/C8H13F3/c1-5(2)7(6(3)4)8(9,10)11/h5H,1-4H3
InChIKeyOQVUGAUIYQUTEY-UHFFFAOYSA-N
MW166.19 g/mol
LogP3.54
Rot. Bonds1

About 2,4-dimethyl-3-(trifluoromethyl)pent-2-ene

2,4-dimethyl-3-(trifluoromethyl)pent-2-ene (PubChem CID 23384782) has the molecular formula C8H13F3 and a molecular weight of 166.19 g/mol. Its IUPAC name is 2,4-dimethyl-3-(trifluoromethyl)pent-2-ene.

Molecular Properties

Compound Name2,4-dimethyl-3-(trifluoromethyl)pent-2-ene
PubChem CID23384782
Molecular FormulaC8H13F3
Molecular Weight166.19 g/mol
Exact Mass166.10
IUPAC Name2,4-dimethyl-3-(trifluoromethyl)pent-2-ene
SMILESCC(C)=C(C(C)C)C(F)(F)F
InChIInChI=1S/C8H13F3/c1-5(2)7(6(3)4)8(9,10)11/h5H,1-4H3
InChIKeyOQVUGAUIYQUTEY-UHFFFAOYSA-N
XLogP3.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
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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Related Compounds

(E)-1,1,1,2-tetrafluoro-3,4-dimethylpent-2-ene
CID 23384616
(Z)-1,1,1,2-tetrafluoro-4-methyl-3-(trifluoromethyl)pent-2-ene
CID 23384617
(Z)-1,1,1,3-tetrafluoro-2,4-dimethylpent-2-ene
CID 23384619
(Z)-1,1,1-trifluoro-2,4-dimethyl-3-(trifluoromethyl)pent-2-ene
CID 23384622
1,1,1-Trifluoro-3,4-dimethyl-2-(trifluoromethyl)pent-2-ene
CID 23384624
(E)-1,1,1-trifluoro-3,4-dimethylpent-2-ene
CID 23384625
1,1,1-Trifluoro-4-methyl-2,3-bis(trifluoromethyl)pent-2-ene
CID 23384626
(E)-2-chloro-1,1,1-trifluoro-3,4-dimethylpent-2-ene
CID 23384790
(Z)-2-chloro-4-methyl-3-(trifluoromethyl)pent-2-ene
CID 23384796
(E)-2-fluoro-3,4-dimethylpent-2-ene
CID 23384807
(Z)-2-fluoro-4-methyl-3-(trifluoromethyl)pent-2-ene
CID 23384808
(E)-4-methyl-3-(trifluoromethyl)pent-2-ene
CID 23385088

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-3-(trifluoromethyl)pent-2-ene?
The IUPAC name of 2,4-dimethyl-3-(trifluoromethyl)pent-2-ene (CID 23384782) is 2,4-dimethyl-3-(trifluoromethyl)pent-2-ene.
What is the SMILES notation for 2,4-dimethyl-3-(trifluoromethyl)pent-2-ene?
The canonical SMILES for 2,4-dimethyl-3-(trifluoromethyl)pent-2-ene is CC(C)=C(C(C)C)C(F)(F)F.
What is the InChIKey of 2,4-dimethyl-3-(trifluoromethyl)pent-2-ene?
The InChIKey is OQVUGAUIYQUTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3/c1-5(2)7(6(3)4)8(9,10)11/h5H,1-4H3.
What are the key properties of 2,4-dimethyl-3-(trifluoromethyl)pent-2-ene?
2,4-dimethyl-3-(trifluoromethyl)pent-2-ene has a molecular weight of 166.19 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-3-(trifluoromethyl)pent-2-ene is sourced from PubChem (CID 23384782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).