1,1,1-trifluoro-3-methyl-2-(trifluoromethyl)pent-2-ene

C7H8F6 — CID 23233538

IUPAC1,1,1-trifluoro-3-methyl-2-(trifluoromethyl)pent-2-ene
SMILESCCC(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/h3H2,1-2H3
InChIKeyUOKUNCLYMVERJU-UHFFFAOYSA-N
MW206.13 g/mol
LogP3.84
Rot. Bonds1

About 1,1,1-trifluoro-3-methyl-2-(trifluoromethyl)pent-2-ene

1,1,1-trifluoro-3-methyl-2-(trifluoromethyl)pent-2-ene (PubChem CID 23233538) has the molecular formula C7H8F6 and a molecular weight of 206.13 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-methyl-2-(trifluoromethyl)pent-2-ene.

Molecular Properties

Compound Name1,1,1-trifluoro-3-methyl-2-(trifluoromethyl)pent-2-ene
PubChem CID23233538
Molecular FormulaC7H8F6
Molecular Weight206.13 g/mol
Exact Mass206.05
IUPAC Name1,1,1-trifluoro-3-methyl-2-(trifluoromethyl)pent-2-ene
SMILESCCC(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/h3H2,1-2H3
InChIKeyUOKUNCLYMVERJU-UHFFFAOYSA-N
XLogP3.84
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 ≤ 53.84
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 1,1,1-trifluoro-3-methyl-2-(trifluoromethyl)pent-2-ene?
The IUPAC name of 1,1,1-trifluoro-3-methyl-2-(trifluoromethyl)pent-2-ene (CID 23233538) is 1,1,1-trifluoro-3-methyl-2-(trifluoromethyl)pent-2-ene.
What is the SMILES notation for 1,1,1-trifluoro-3-methyl-2-(trifluoromethyl)pent-2-ene?
The canonical SMILES for 1,1,1-trifluoro-3-methyl-2-(trifluoromethyl)pent-2-ene is CCC(C)=C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-methyl-2-(trifluoromethyl)pent-2-ene?
The InChIKey is UOKUNCLYMVERJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F6/c1-3-4(2)5(6(8,9)10)7(11,12)13/h3H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-3-methyl-2-(trifluoromethyl)pent-2-ene?
1,1,1-trifluoro-3-methyl-2-(trifluoromethyl)pent-2-ene has a molecular weight of 206.13 g/mol, XLogP of 3.84, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-methyl-2-(trifluoromethyl)pent-2-ene is sourced from PubChem (CID 23233538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).