2-(1,1,1,2,3-Pentafluorohex-5-en-2-yloxymethyl)oxirane

C9H11F5O2 — CID 175321997

IUPAC2-(1,1,1,2,3-pentafluorohex-5-en-2-yloxymethyl)oxirane
SMILESC=CCC(C(C(F)(F)F)(OCC1CO1)F)F
InChIInChI=1S/C9H11F5O2/c1-2-3-7(10)8(11,9(12,13)14)16-5-6-4-15-6/h2,6-7H,1,3-5H2
InChIKeyZHUPFYFANJOVGE-UHFFFAOYSA-N
MW246.17 g/mol
LogP2.70
Rot. Bonds6

About 2-(1,1,1,2,3-Pentafluorohex-5-en-2-yloxymethyl)oxirane

2-(1,1,1,2,3-Pentafluorohex-5-en-2-yloxymethyl)oxirane (PubChem CID 175321997) has the molecular formula C9H11F5O2 and a molecular weight of 246.17 g/mol. Its IUPAC name is 2-(1,1,1,2,3-pentafluorohex-5-en-2-yloxymethyl)oxirane.

Molecular Properties

Compound Name2-(1,1,1,2,3-Pentafluorohex-5-en-2-yloxymethyl)oxirane
PubChem CID175321997
Molecular FormulaC9H11F5O2
Molecular Weight246.17 g/mol
Exact Mass246.07
IUPAC Name2-(1,1,1,2,3-pentafluorohex-5-en-2-yloxymethyl)oxirane
SMILESC=CCC(C(C(F)(F)F)(OCC1CO1)F)F
InChIInChI=1S/C9H11F5O2/c1-2-3-7(10)8(11,9(12,13)14)16-5-6-4-15-6/h2,6-7H,1,3-5H2
InChIKeyZHUPFYFANJOVGE-UHFFFAOYSA-N
XLogP2.70
TPSA21.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms16
Complexity255

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.17
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', '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-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
6-[2,2-Difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]hex-1-ene
CID 53872166
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
5-[2,2-Difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]ethoxy]pent-1-ene
CID 54050515
6-[2,2-Difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]ethoxy]hex-1-ene
CID 54089133
2-(1,1,1,2,3,3-Hexafluorohex-5-en-2-yloxymethyl)oxirane
CID 175322006
2-(Pent-4-enoxymethyl)oxirane
CID 23466507

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,1,2,3-Pentafluorohex-5-en-2-yloxymethyl)oxirane?
The IUPAC name of 2-(1,1,1,2,3-Pentafluorohex-5-en-2-yloxymethyl)oxirane (CID 175321997) is 2-(1,1,1,2,3-pentafluorohex-5-en-2-yloxymethyl)oxirane.
What is the SMILES notation for 2-(1,1,1,2,3-Pentafluorohex-5-en-2-yloxymethyl)oxirane?
The canonical SMILES for 2-(1,1,1,2,3-Pentafluorohex-5-en-2-yloxymethyl)oxirane is C=CCC(C(C(F)(F)F)(OCC1CO1)F)F.
What is the InChIKey of 2-(1,1,1,2,3-Pentafluorohex-5-en-2-yloxymethyl)oxirane?
The InChIKey is ZHUPFYFANJOVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F5O2/c1-2-3-7(10)8(11,9(12,13)14)16-5-6-4-15-6/h2,6-7H,1,3-5H2.
What are the key properties of 2-(1,1,1,2,3-Pentafluorohex-5-en-2-yloxymethyl)oxirane?
2-(1,1,1,2,3-Pentafluorohex-5-en-2-yloxymethyl)oxirane has a molecular weight of 246.17 g/mol, XLogP of 2.70, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,1,2,3-Pentafluorohex-5-en-2-yloxymethyl)oxirane is sourced from PubChem (CID 175321997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).