(E)-5,5,5-trifluoro-3-methyl-4-(trifluoromethyl)pent-2-ene

C7H8F6 — CID 23233541

IUPAC(E)-5,5,5-trifluoro-3-methyl-4-(trifluoromethyl)pent-2-ene
SMILESC/C=C(\C)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H8F6/c1-3-4(2)5(6(8,9)10)7(11,12)13/h3,5H,1-2H3/b4-3+
InChIKeyRRNLOEPUZJCRKB-ONEGZZNKSA-N
MW206.13 g/mol
LogP3.69
Rot. Bonds1

About (E)-5,5,5-trifluoro-3-methyl-4-(trifluoromethyl)pent-2-ene

(E)-5,5,5-trifluoro-3-methyl-4-(trifluoromethyl)pent-2-ene (PubChem CID 23233541) has the molecular formula C7H8F6 and a molecular weight of 206.13 g/mol. Its IUPAC name is (E)-5,5,5-trifluoro-3-methyl-4-(trifluoromethyl)pent-2-ene.

Molecular Properties

Compound Name(E)-5,5,5-trifluoro-3-methyl-4-(trifluoromethyl)pent-2-ene
PubChem CID23233541
Molecular FormulaC7H8F6
Molecular Weight206.13 g/mol
Exact Mass206.05
IUPAC Name(E)-5,5,5-trifluoro-3-methyl-4-(trifluoromethyl)pent-2-ene
SMILESC/C=C(\C)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H8F6/c1-3-4(2)5(6(8,9)10)7(11,12)13/h3,5H,1-2H3/b4-3+
InChIKeyRRNLOEPUZJCRKB-ONEGZZNKSA-N
XLogP3.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.13
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (E)-5,5,5-trifluoro-3-methyl-4-(trifluoromethyl)pent-2-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,5-Difluoro-2-methylpent-2-ene
CID 14092768
5,5,5-Trifluoro-2-methylpent-2-ene
CID 53930878
1,1,1-Trifluoro-2-(trifluoromethyl)hex-2-ene
CID 640488
(E)-6,6,6-trifluoro-5-(trifluoromethyl)hex-2-ene
CID 23233539
5,5,6,6,6-Pentafluoro-2-methylhex-2-ene
CID 86128587
5,6,6,6-Tetrafluoro-2-methyl-5-(trifluoromethyl)hex-2-ene
CID 86128591
2-Hexene, 6,6,6-trifluoro-5-(trifluoromethyl)-, (Z)-
CID 5364828
(Z)-1,1,1,2,5,5,6,6,6-nonafluoro-4-methylhex-2-ene
CID 12613478
(Z)-1,1,1,3-tetrafluoro-2-(trifluoromethyl)hept-3-ene
CID 12635053
6,6,6-Trifluoro-5-(trifluoromethyl)hex-2-ene
CID 544463
1,1,1-Trifluoro-4-methyl-2-(trifluoromethyl)pent-2-ene
CID 12412838
(E)-1,1,1,5,5,5-hexafluoro-2-methylpent-2-ene
CID 12578250

Frequently Asked Questions

What is the IUPAC name of (E)-5,5,5-trifluoro-3-methyl-4-(trifluoromethyl)pent-2-ene?
The IUPAC name of (E)-5,5,5-trifluoro-3-methyl-4-(trifluoromethyl)pent-2-ene (CID 23233541) is (E)-5,5,5-trifluoro-3-methyl-4-(trifluoromethyl)pent-2-ene.
What is the SMILES notation for (E)-5,5,5-trifluoro-3-methyl-4-(trifluoromethyl)pent-2-ene?
The canonical SMILES for (E)-5,5,5-trifluoro-3-methyl-4-(trifluoromethyl)pent-2-ene is C/C=C(\C)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of (E)-5,5,5-trifluoro-3-methyl-4-(trifluoromethyl)pent-2-ene?
The InChIKey is RRNLOEPUZJCRKB-ONEGZZNKSA-N. The full InChI is InChI=1S/C7H8F6/c1-3-4(2)5(6(8,9)10)7(11,12)13/h3,5H,1-2H3/b4-3+.
What are the key properties of (E)-5,5,5-trifluoro-3-methyl-4-(trifluoromethyl)pent-2-ene?
(E)-5,5,5-trifluoro-3-methyl-4-(trifluoromethyl)pent-2-ene has a molecular weight of 206.13 g/mol, XLogP of 3.69, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5,5,5-trifluoro-3-methyl-4-(trifluoromethyl)pent-2-ene is sourced from PubChem (CID 23233541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).