6-(trifluoromethoxy)hex-1-ene

C14H22F6O2 — CID 141249310

IUPAC6-(trifluoromethoxy)hex-1-ene
SMILESC=CCCCCOC(F)(F)F.C=CCCCCOC(F)(F)F
InChIInChI=1S/2C7H11F3O/c2*1-2-3-4-5-6-11-7(8,9)10/h2*2H,1,3-6H2
InChIKeyGBAQWYMTEJSACO-UHFFFAOYSA-N
MW336.32 g/mol
LogP5.76
Rot. Bonds10

About 6-(trifluoromethoxy)hex-1-ene

6-(trifluoromethoxy)hex-1-ene (PubChem CID 141249310) has the molecular formula C14H22F6O2 and a molecular weight of 336.32 g/mol. Its IUPAC name is 6-(trifluoromethoxy)hex-1-ene.

Molecular Properties

Compound Name6-(trifluoromethoxy)hex-1-ene
PubChem CID141249310
Molecular FormulaC14H22F6O2
Molecular Weight336.32 g/mol
Exact Mass336.15
IUPAC Name6-(trifluoromethoxy)hex-1-ene
SMILESC=CCCCCOC(F)(F)F.C=CCCCCOC(F)(F)F
InChIInChI=1S/2C7H11F3O/c2*1-2-3-4-5-6-11-7(8,9)10/h2*2H,1,3-6H2
InChIKeyGBAQWYMTEJSACO-UHFFFAOYSA-N
XLogP5.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.32
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5S)-6-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]ethoxy]-5-fluorohex-1-ene
CID 11478130
C3F7Ocfhcf2O(CH2)4CH=CH2
CID 11682113
6-[2,2,3,3,4,4-Hexafluoro-4-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)butoxy]hex-1-ene
CID 17897664
6-[2,2,3,3,4,4-Hexafluoro-4-(1,1,2,2,2-pentafluoroethoxy)butoxy]hex-1-ene
CID 17897666
6-[2,2,3,3,4,4-Hexafluoro-4-(1,1,2,2,3,3,3-heptafluoropropoxy)butoxy]hex-1-ene
CID 17897671
6-[2,2-Difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]ethoxy]hex-1-ene
CID 18359612
6-[2,2-Difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]ethoxy]-5-fluorohex-1-ene
CID 21195200
7-Fluoro-8-[2,2,3,3-tetrafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propoxy]oct-1-ene
CID 21195217
(7S)-7-fluoro-8-[2,2,3,3-tetrafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propoxy]oct-1-ene
CID 53782858
6-[2,2-Difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]hex-1-ene
CID 53872166
4,4,5,5,6,6-Hexafluoro-6-(1,1,2,2,3,3-hexafluorohex-5-enoxy)hex-1-ene
CID 53921598
6-[2,2-Difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]ethoxy]hex-1-ene
CID 53934819

Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethoxy)hex-1-ene?
The IUPAC name of 6-(trifluoromethoxy)hex-1-ene (CID 141249310) is 6-(trifluoromethoxy)hex-1-ene.
What is the SMILES notation for 6-(trifluoromethoxy)hex-1-ene?
The canonical SMILES for 6-(trifluoromethoxy)hex-1-ene is C=CCCCCOC(F)(F)F.C=CCCCCOC(F)(F)F.
What is the InChIKey of 6-(trifluoromethoxy)hex-1-ene?
The InChIKey is GBAQWYMTEJSACO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H11F3O/c2*1-2-3-4-5-6-11-7(8,9)10/h2*2H,1,3-6H2.
What are the key properties of 6-(trifluoromethoxy)hex-1-ene?
6-(trifluoromethoxy)hex-1-ene has a molecular weight of 336.32 g/mol, XLogP of 5.76, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethoxy)hex-1-ene is sourced from PubChem (CID 141249310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).