5,5,5-trifluoro-2-methyl-4-(2,2,2-trifluoroethoxy)pent-1-ene

C8H10F6O — CID 147456797

IUPAC5,5,5-trifluoro-2-methyl-4-(2,2,2-trifluoroethoxy)pent-1-ene
SMILESC=C(C)CC(OCC(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H10F6O/c1-5(2)3-6(8(12,13)14)15-4-7(9,10)11/h6H,1,3-4H2,2H3
InChIKeyDZDIYSNTPZDPGQ-UHFFFAOYSA-N
MW236.15 g/mol
LogP3.46
Rot. Bonds4

About 5,5,5-trifluoro-2-methyl-4-(2,2,2-trifluoroethoxy)pent-1-ene

5,5,5-trifluoro-2-methyl-4-(2,2,2-trifluoroethoxy)pent-1-ene (PubChem CID 147456797) has the molecular formula C8H10F6O and a molecular weight of 236.15 g/mol. Its IUPAC name is 5,5,5-trifluoro-2-methyl-4-(2,2,2-trifluoroethoxy)pent-1-ene.

Molecular Properties

Compound Name5,5,5-trifluoro-2-methyl-4-(2,2,2-trifluoroethoxy)pent-1-ene
PubChem CID147456797
Molecular FormulaC8H10F6O
Molecular Weight236.15 g/mol
Exact Mass236.06
IUPAC Name5,5,5-trifluoro-2-methyl-4-(2,2,2-trifluoroethoxy)pent-1-ene
SMILESC=C(C)CC(OCC(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H10F6O/c1-5(2)3-6(8(12,13)14)15-4-7(9,10)11/h6H,1,3-4H2,2H3
InChIKeyDZDIYSNTPZDPGQ-UHFFFAOYSA-N
XLogP3.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.15
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-Fluoro-4-(3,3,3-trifluoro-2,2-dimethylpropoxy)-2-(trifluoromethyl)pent-1-ene
CID 57838217
4-(1,1,2,2,3,3-Hexafluorobutoxy)hex-1-ene
CID 88239022
4-(1,1,2,3,4,4-Hexafluorobutoxy)hex-1-ene
CID 88239023
4-(1,1,2,4,4,4-Hexafluorobutoxy)hex-1-ene
CID 88239025
1-(1,1-Difluoroethoxy)-3-methylidenecyclohexane
CID 91590459
2-Methyl-4-(trifluoromethoxy)pent-1-ene
CID 134560259
2-Methyl-4-(1,1,2,2-tetrafluoropropoxy)but-1-ene
CID 139758333
2-Ethoxy-4-(trifluoromethyl)penta-1,4-diene
CID 142428740
5,5,5-Trifluoro-4-(2,2,4,4,5,5,5-heptafluoropentoxy)-2-methylpent-1-ene
CID 160189808
5-Ethoxy-4,4-difluoro-2-methylpent-1-ene
CID 163738849
1,1,2,3-Tetrafluoro-5-propoxyhex-1-ene
CID 173584107
(E)-1-fluoro-2-methyl-4-(1,1,1-trifluoro-2-methylpropan-2-yl)oxybut-1-ene
CID 174018819

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-2-methyl-4-(2,2,2-trifluoroethoxy)pent-1-ene?
The IUPAC name of 5,5,5-trifluoro-2-methyl-4-(2,2,2-trifluoroethoxy)pent-1-ene (CID 147456797) is 5,5,5-trifluoro-2-methyl-4-(2,2,2-trifluoroethoxy)pent-1-ene.
What is the SMILES notation for 5,5,5-trifluoro-2-methyl-4-(2,2,2-trifluoroethoxy)pent-1-ene?
The canonical SMILES for 5,5,5-trifluoro-2-methyl-4-(2,2,2-trifluoroethoxy)pent-1-ene is C=C(C)CC(OCC(F)(F)F)C(F)(F)F.
What is the InChIKey of 5,5,5-trifluoro-2-methyl-4-(2,2,2-trifluoroethoxy)pent-1-ene?
The InChIKey is DZDIYSNTPZDPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F6O/c1-5(2)3-6(8(12,13)14)15-4-7(9,10)11/h6H,1,3-4H2,2H3.
What are the key properties of 5,5,5-trifluoro-2-methyl-4-(2,2,2-trifluoroethoxy)pent-1-ene?
5,5,5-trifluoro-2-methyl-4-(2,2,2-trifluoroethoxy)pent-1-ene has a molecular weight of 236.15 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-2-methyl-4-(2,2,2-trifluoroethoxy)pent-1-ene is sourced from PubChem (CID 147456797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).