2-(methoxymethyl)-4-(trifluoromethyl)oxetane;prop-1-ene

C9H15F3O2 — CID 159682421

IUPAC2-(methoxymethyl)-4-(trifluoromethyl)oxetane;prop-1-ene
SMILESC=CC.COCC1CC(C(F)(F)F)O1
InChIInChI=1S/C6H9F3O2.C3H6/c1-10-3-4-2-5(11-4)6(7,8)9;1-3-2/h4-5H,2-3H2,1H3;3H,1H2,2H3
InChIKeyMVJGQFHABQAQDC-UHFFFAOYSA-N
MW212.21 g/mol
LogP2.54
Rot. Bonds2

About 2-(methoxymethyl)-4-(trifluoromethyl)oxetane;prop-1-ene

2-(methoxymethyl)-4-(trifluoromethyl)oxetane;prop-1-ene (PubChem CID 159682421) has the molecular formula C9H15F3O2 and a molecular weight of 212.21 g/mol. Its IUPAC name is 2-(methoxymethyl)-4-(trifluoromethyl)oxetane;prop-1-ene.

Molecular Properties

Compound Name2-(methoxymethyl)-4-(trifluoromethyl)oxetane;prop-1-ene
PubChem CID159682421
Molecular FormulaC9H15F3O2
Molecular Weight212.21 g/mol
Exact Mass212.10
IUPAC Name2-(methoxymethyl)-4-(trifluoromethyl)oxetane;prop-1-ene
SMILESC=CC.COCC1CC(C(F)(F)F)O1
InChIInChI=1S/C6H9F3O2.C3H6/c1-10-3-4-2-5(11-4)6(7,8)9;1-3-2/h4-5H,2-3H2,1H3;3H,1H2,2H3
InChIKeyMVJGQFHABQAQDC-UHFFFAOYSA-N
XLogP2.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-4-(trifluoromethyl)oxetane;prop-1-ene?
The IUPAC name of 2-(methoxymethyl)-4-(trifluoromethyl)oxetane;prop-1-ene (CID 159682421) is 2-(methoxymethyl)-4-(trifluoromethyl)oxetane;prop-1-ene.
What is the SMILES notation for 2-(methoxymethyl)-4-(trifluoromethyl)oxetane;prop-1-ene?
The canonical SMILES for 2-(methoxymethyl)-4-(trifluoromethyl)oxetane;prop-1-ene is C=CC.COCC1CC(C(F)(F)F)O1.
What is the InChIKey of 2-(methoxymethyl)-4-(trifluoromethyl)oxetane;prop-1-ene?
The InChIKey is MVJGQFHABQAQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3O2.C3H6/c1-10-3-4-2-5(11-4)6(7,8)9;1-3-2/h4-5H,2-3H2,1H3;3H,1H2,2H3.
What are the key properties of 2-(methoxymethyl)-4-(trifluoromethyl)oxetane;prop-1-ene?
2-(methoxymethyl)-4-(trifluoromethyl)oxetane;prop-1-ene has a molecular weight of 212.21 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-4-(trifluoromethyl)oxetane;prop-1-ene is sourced from PubChem (CID 159682421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).