2-[2-(trifluoromethyl)but-1-enoxymethyl]oxetane

C9H13F3O2 — CID 151158435

IUPAC2-[2-(trifluoromethyl)but-1-enoxymethyl]oxetane
SMILESCCC(=COCC1CCO1)C(F)(F)F
InChIInChI=1S/C9H13F3O2/c1-2-7(9(10,11)12)5-13-6-8-3-4-14-8/h5,8H,2-4,6H2,1H3
InChIKeyMZTCRQUKAVVHSL-UHFFFAOYSA-N
MW210.19 g/mol
LogP2.65
Rot. Bonds4

About 2-[2-(trifluoromethyl)but-1-enoxymethyl]oxetane

2-[2-(trifluoromethyl)but-1-enoxymethyl]oxetane (PubChem CID 151158435) has the molecular formula C9H13F3O2 and a molecular weight of 210.19 g/mol. Its IUPAC name is 2-[2-(trifluoromethyl)but-1-enoxymethyl]oxetane.

Molecular Properties

Compound Name2-[2-(trifluoromethyl)but-1-enoxymethyl]oxetane
PubChem CID151158435
Molecular FormulaC9H13F3O2
Molecular Weight210.19 g/mol
Exact Mass210.09
IUPAC Name2-[2-(trifluoromethyl)but-1-enoxymethyl]oxetane
SMILESCCC(=COCC1CCO1)C(F)(F)F
InChIInChI=1S/C9H13F3O2/c1-2-7(9(10,11)12)5-13-6-8-3-4-14-8/h5,8H,2-4,6H2,1H3
InChIKeyMZTCRQUKAVVHSL-UHFFFAOYSA-N
XLogP2.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-Methylprop-1-enoxymethyl)-4-(trifluoromethyl)oxetane
CID 150355616
2-[(2-Ethyl-3,3,4,4,4-pentafluorobut-1-enoxy)methyl]oxetane
CID 151062717
2-(Methoxymethyl)oxetane;2-(trifluoromethyl)but-1-ene
CID 160466244
2-Methyl-3-[2-(trifluoromethyl)but-1-enoxymethyl]oxirane
CID 161377917
2-[2-(Trifluoromethyl)but-1-enoxy]ethoxycyclobutane
CID 150889306

Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethyl)but-1-enoxymethyl]oxetane?
The IUPAC name of 2-[2-(trifluoromethyl)but-1-enoxymethyl]oxetane (CID 151158435) is 2-[2-(trifluoromethyl)but-1-enoxymethyl]oxetane.
What is the SMILES notation for 2-[2-(trifluoromethyl)but-1-enoxymethyl]oxetane?
The canonical SMILES for 2-[2-(trifluoromethyl)but-1-enoxymethyl]oxetane is CCC(=COCC1CCO1)C(F)(F)F.
What is the InChIKey of 2-[2-(trifluoromethyl)but-1-enoxymethyl]oxetane?
The InChIKey is MZTCRQUKAVVHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3O2/c1-2-7(9(10,11)12)5-13-6-8-3-4-14-8/h5,8H,2-4,6H2,1H3.
What are the key properties of 2-[2-(trifluoromethyl)but-1-enoxymethyl]oxetane?
2-[2-(trifluoromethyl)but-1-enoxymethyl]oxetane has a molecular weight of 210.19 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethyl)but-1-enoxymethyl]oxetane is sourced from PubChem (CID 151158435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).