2-(2,2,3-trifluorobut-3-enoxymethyl)oxirane

C7H9F3O2 — CID 23546504

IUPAC2-(2,2,3-trifluorobut-3-enoxymethyl)oxirane
SMILESC=C(F)C(F)(F)COCC1CO1
InChIInChI=1S/C7H9F3O2/c1-5(8)7(9,10)4-11-2-6-3-12-6/h6H,1-4H2
InChIKeyGROGMEASLASHJJ-UHFFFAOYSA-N
MW182.14 g/mol
LogP1.52
Rot. Bonds5

About 2-(2,2,3-trifluorobut-3-enoxymethyl)oxirane

2-(2,2,3-trifluorobut-3-enoxymethyl)oxirane (PubChem CID 23546504) has the molecular formula C7H9F3O2 and a molecular weight of 182.14 g/mol. Its IUPAC name is 2-(2,2,3-trifluorobut-3-enoxymethyl)oxirane.

Molecular Properties

Compound Name2-(2,2,3-trifluorobut-3-enoxymethyl)oxirane
PubChem CID23546504
Molecular FormulaC7H9F3O2
Molecular Weight182.14 g/mol
Exact Mass182.06
IUPAC Name2-(2,2,3-trifluorobut-3-enoxymethyl)oxirane
SMILESC=C(F)C(F)(F)COCC1CO1
InChIInChI=1S/C7H9F3O2/c1-5(8)7(9,10)4-11-2-6-3-12-6/h6H,1-4H2
InChIKeyGROGMEASLASHJJ-UHFFFAOYSA-N
XLogP1.52
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.14
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-methylprop-1-ene;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87296159
methane;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 167637417
ethane-1,2-diol;ethene;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 173313374
[2,3-difluoro-1-(oxiran-2-ylmethoxy)butan-2-yl]phosphane
CID 163554978
2-[2,2-bis(oxiran-2-ylmethoxymethyl)butoxymethyl]oxirane;2-methylprop-2-enoic acid
CID 22131922
2-(oxiran-2-ylmethoxymethyl)oxirane diazide
CID 175700488
4-(2,2,3,3,3-pentafluoropropoxymethyl)-1,3-dioxolan-2-ol
CID 162597981
2-methyl-3-(oxiran-2-ylmethoxy)-2-(oxiran-2-ylmethoxymethyl)propanoic acid
CID 142337917
(2S)-2-(4,4,5,5,5-pentafluoropentoxymethyl)oxirane
CID 98041590
(2R)-2-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxymethyl)oxirane
CID 97291003
[1,4-bis(oxiran-2-ylmethoxy)-2-(oxiran-2-ylmethoxymethyl)butan-2-yl]oxysilane
CID 173303950
ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87071861

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,3-trifluorobut-3-enoxymethyl)oxirane?
The IUPAC name of 2-(2,2,3-trifluorobut-3-enoxymethyl)oxirane (CID 23546504) is 2-(2,2,3-trifluorobut-3-enoxymethyl)oxirane.
What is the SMILES notation for 2-(2,2,3-trifluorobut-3-enoxymethyl)oxirane?
The canonical SMILES for 2-(2,2,3-trifluorobut-3-enoxymethyl)oxirane is C=C(F)C(F)(F)COCC1CO1.
What is the InChIKey of 2-(2,2,3-trifluorobut-3-enoxymethyl)oxirane?
The InChIKey is GROGMEASLASHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3O2/c1-5(8)7(9,10)4-11-2-6-3-12-6/h6H,1-4H2.
What are the key properties of 2-(2,2,3-trifluorobut-3-enoxymethyl)oxirane?
2-(2,2,3-trifluorobut-3-enoxymethyl)oxirane has a molecular weight of 182.14 g/mol, XLogP of 1.52, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,3-trifluorobut-3-enoxymethyl)oxirane is sourced from PubChem (CID 23546504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).