2-(1,1,2-trifluoropropoxymethyl)oxirane

C6H9F3O2 — CID 87368360

IUPAC2-(1,1,2-trifluoropropoxymethyl)oxirane
SMILESCC(F)C(F)(F)OCC1CO1
InChIInChI=1S/C6H9F3O2/c1-4(7)6(8,9)11-3-5-2-10-5/h4-5H,2-3H2,1H3
InChIKeyLCWXZUHJXSURSO-UHFFFAOYSA-N
MW170.13 g/mol
LogP1.35
Rot. Bonds4

About 2-(1,1,2-trifluoropropoxymethyl)oxirane

2-(1,1,2-trifluoropropoxymethyl)oxirane (PubChem CID 87368360) has the molecular formula C6H9F3O2 and a molecular weight of 170.13 g/mol. Its IUPAC name is 2-(1,1,2-trifluoropropoxymethyl)oxirane.

Molecular Properties

Compound Name2-(1,1,2-trifluoropropoxymethyl)oxirane
PubChem CID87368360
Molecular FormulaC6H9F3O2
Molecular Weight170.13 g/mol
Exact Mass170.06
IUPAC Name2-(1,1,2-trifluoropropoxymethyl)oxirane
SMILESCC(F)C(F)(F)OCC1CO1
InChIInChI=1S/C6H9F3O2/c1-4(7)6(8,9)11-3-5-2-10-5/h4-5H,2-3H2,1H3
InChIKeyLCWXZUHJXSURSO-UHFFFAOYSA-N
XLogP1.35
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.13
LogP ≤ 51.35
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

4-(1,1,2,2-tetrafluoroethoxymethyl)-1,3-dioxolane
CID 88661077
[2,3-difluoro-1-(oxiran-2-ylmethoxy)butan-2-yl]phosphane
CID 163554978
2-[[2,4-dimethyl-4-(oxiran-2-ylmethoxy)pentan-2-yl]oxymethyl]oxirane
CID 89152762
2-(propan-2-yloxymethyl)oxirane
CID 159998967
1-(oxiran-2-ylmethoxy)-3-(1,1,2,2-tetrafluoroethoxy)propan-2-ol
CID 139989474
2-[(2-methyl-4-propan-2-yloxybutan-2-yl)oxymethyl]oxirane
CID 123358235
2-[2-methyl-2-[3-methyl-3-(oxiran-2-ylmethoxy)butan-2-yl]oxypropyl]oxirane
CID 123361559
2-(1,1-dimethoxypropoxymethyl)oxirane
CID 174508703
1,1-bis(oxiran-2-ylmethoxy)butane-1,2,2,3,3-pentamine
CID 56622855
2-(1-bromoethoxymethyl)oxirane
CID 20568723
1-(oxiran-2-ylmethoxy)ethanamine
CID 130292873
2-(1-iodoethoxymethyl)oxirane
CID 89194519

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,2-trifluoropropoxymethyl)oxirane?
The IUPAC name of 2-(1,1,2-trifluoropropoxymethyl)oxirane (CID 87368360) is 2-(1,1,2-trifluoropropoxymethyl)oxirane.
What is the SMILES notation for 2-(1,1,2-trifluoropropoxymethyl)oxirane?
The canonical SMILES for 2-(1,1,2-trifluoropropoxymethyl)oxirane is CC(F)C(F)(F)OCC1CO1.
What is the InChIKey of 2-(1,1,2-trifluoropropoxymethyl)oxirane?
The InChIKey is LCWXZUHJXSURSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3O2/c1-4(7)6(8,9)11-3-5-2-10-5/h4-5H,2-3H2,1H3.
What are the key properties of 2-(1,1,2-trifluoropropoxymethyl)oxirane?
2-(1,1,2-trifluoropropoxymethyl)oxirane has a molecular weight of 170.13 g/mol, XLogP of 1.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2-trifluoropropoxymethyl)oxirane is sourced from PubChem (CID 87368360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).