(E)-1,1,1-trifluoro-2,4-dimethyl-3-(trifluoromethyl)pent-2-ene

C8H10F6 — CID 59911447

IUPAC(E)-1,1,1-trifluoro-2,4-dimethyl-3-(trifluoromethyl)pent-2-ene
SMILESC/C(=C(/C(C)C)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H10F6/c1-4(2)6(8(12,13)14)5(3)7(9,10)11/h4H,1-3H3/b6-5+
InChIKeyLMDPDDKDSUZDCD-AATRIKPKSA-N
MW220.16 g/mol
LogP4.08
Rot. Bonds1

About (E)-1,1,1-trifluoro-2,4-dimethyl-3-(trifluoromethyl)pent-2-ene

(E)-1,1,1-trifluoro-2,4-dimethyl-3-(trifluoromethyl)pent-2-ene (PubChem CID 59911447) has the molecular formula C8H10F6 and a molecular weight of 220.16 g/mol. Its IUPAC name is (E)-1,1,1-trifluoro-2,4-dimethyl-3-(trifluoromethyl)pent-2-ene.

Molecular Properties

Compound Name(E)-1,1,1-trifluoro-2,4-dimethyl-3-(trifluoromethyl)pent-2-ene
PubChem CID59911447
Molecular FormulaC8H10F6
Molecular Weight220.16 g/mol
Exact Mass220.07
IUPAC Name(E)-1,1,1-trifluoro-2,4-dimethyl-3-(trifluoromethyl)pent-2-ene
SMILESC/C(=C(/C(C)C)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H10F6/c1-4(2)6(8(12,13)14)5(3)7(9,10)11/h4H,1-3H3/b6-5+
InChIKeyLMDPDDKDSUZDCD-AATRIKPKSA-N
XLogP4.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.16
LogP ≤ 54.08
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)-1,1,1-trifluoro-2,4-dimethyl-3-(trifluoromethyl)pent-2-ene?
The IUPAC name of (E)-1,1,1-trifluoro-2,4-dimethyl-3-(trifluoromethyl)pent-2-ene (CID 59911447) is (E)-1,1,1-trifluoro-2,4-dimethyl-3-(trifluoromethyl)pent-2-ene.
What is the SMILES notation for (E)-1,1,1-trifluoro-2,4-dimethyl-3-(trifluoromethyl)pent-2-ene?
The canonical SMILES for (E)-1,1,1-trifluoro-2,4-dimethyl-3-(trifluoromethyl)pent-2-ene is C/C(=C(/C(C)C)C(F)(F)F)C(F)(F)F.
What is the InChIKey of (E)-1,1,1-trifluoro-2,4-dimethyl-3-(trifluoromethyl)pent-2-ene?
The InChIKey is LMDPDDKDSUZDCD-AATRIKPKSA-N. The full InChI is InChI=1S/C8H10F6/c1-4(2)6(8(12,13)14)5(3)7(9,10)11/h4H,1-3H3/b6-5+.
What are the key properties of (E)-1,1,1-trifluoro-2,4-dimethyl-3-(trifluoromethyl)pent-2-ene?
(E)-1,1,1-trifluoro-2,4-dimethyl-3-(trifluoromethyl)pent-2-ene has a molecular weight of 220.16 g/mol, XLogP of 4.08, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1,1-trifluoro-2,4-dimethyl-3-(trifluoromethyl)pent-2-ene is sourced from PubChem (CID 59911447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).