2-(1,1,3-trifluoroprop-1-en-2-yloxymethyl)oxirane

C6H7F3O2 — CID 58858724

IUPAC2-(1,1,3-trifluoroprop-1-en-2-yloxymethyl)oxirane
SMILESFCC(OCC1CO1)=C(F)F
InChIInChI=1S/C6H7F3O2/c7-1-5(6(8)9)11-3-4-2-10-4/h4H,1-3H2
InChIKeyQPZNBMHTYLGUPU-UHFFFAOYSA-N
MW168.11 g/mol
LogP1.48
Rot. Bonds4

About 2-(1,1,3-trifluoroprop-1-en-2-yloxymethyl)oxirane

2-(1,1,3-trifluoroprop-1-en-2-yloxymethyl)oxirane (PubChem CID 58858724) has the molecular formula C6H7F3O2 and a molecular weight of 168.11 g/mol. Its IUPAC name is 2-(1,1,3-trifluoroprop-1-en-2-yloxymethyl)oxirane.

Molecular Properties

Compound Name2-(1,1,3-trifluoroprop-1-en-2-yloxymethyl)oxirane
PubChem CID58858724
Molecular FormulaC6H7F3O2
Molecular Weight168.11 g/mol
Exact Mass168.04
IUPAC Name2-(1,1,3-trifluoroprop-1-en-2-yloxymethyl)oxirane
SMILESFCC(OCC1CO1)=C(F)F
InChIInChI=1S/C6H7F3O2/c7-1-5(6(8)9)11-3-4-2-10-4/h4H,1-3H2
InChIKeyQPZNBMHTYLGUPU-UHFFFAOYSA-N
XLogP1.48
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.11
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

((1,1,2,2-Tetrafluoroethoxy)methyl)oxirane
CID 2776649
2-((2,2,2-Trifluoroethoxy)methyl)oxirane
CID 2763168
2-(2,2,3,3,3-Pentafluoropropoxymethyl)oxirane
CID 12035247
2-[(1,1,2,3,3,3-Hexafluoropropoxy)methyl]oxirane
CID 14246829
2-(1,2,2-Trifluoroethoxymethyl)oxirane
CID 20153429
2-(1,2,2,3,3-Pentafluoropropoxymethyl)oxirane
CID 20402906
2-(1,1,2,2,2-Pentafluoroethoxymethyl)oxirane
CID 21910268
Heptafluoroisopropylglycidyl ether
CID 22715514
2-(1,1,1,2,3-Pentafluoropropan-2-yloxymethyl)oxirane
CID 22715516
2-(1,2,2,2-Tetrafluoroethoxymethyl)oxirane
CID 23069352
2-(Trifluoromethoxymethyl)oxirane
CID 23089500
(2S)-2-(2,2,2-trifluoroethoxymethyl)oxirane
CID 26338490

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,3-trifluoroprop-1-en-2-yloxymethyl)oxirane?
The IUPAC name of 2-(1,1,3-trifluoroprop-1-en-2-yloxymethyl)oxirane (CID 58858724) is 2-(1,1,3-trifluoroprop-1-en-2-yloxymethyl)oxirane.
What is the SMILES notation for 2-(1,1,3-trifluoroprop-1-en-2-yloxymethyl)oxirane?
The canonical SMILES for 2-(1,1,3-trifluoroprop-1-en-2-yloxymethyl)oxirane is FCC(OCC1CO1)=C(F)F.
What is the InChIKey of 2-(1,1,3-trifluoroprop-1-en-2-yloxymethyl)oxirane?
The InChIKey is QPZNBMHTYLGUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3O2/c7-1-5(6(8)9)11-3-4-2-10-4/h4H,1-3H2.
What are the key properties of 2-(1,1,3-trifluoroprop-1-en-2-yloxymethyl)oxirane?
2-(1,1,3-trifluoroprop-1-en-2-yloxymethyl)oxirane has a molecular weight of 168.11 g/mol, XLogP of 1.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,3-trifluoroprop-1-en-2-yloxymethyl)oxirane is sourced from PubChem (CID 58858724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).