2,3,3-trifluoro-4-(2-prop-1-enoxypropyl)oxetane

C9H13F3O2 — CID 150814803

IUPAC2,3,3-trifluoro-4-(2-prop-1-enoxypropyl)oxetane
SMILESCC=COC(C)CC1OC(F)C1(F)F
InChIInChI=1S/C9H13F3O2/c1-3-4-13-6(2)5-7-9(11,12)8(10)14-7/h3-4,6-8H,5H2,1-2H3
InChIKeyKIQLKTKTEMRMJA-UHFFFAOYSA-N
MW210.19 g/mol
LogP2.64
Rot. Bonds4

About 2,3,3-trifluoro-4-(2-prop-1-enoxypropyl)oxetane

2,3,3-trifluoro-4-(2-prop-1-enoxypropyl)oxetane (PubChem CID 150814803) has the molecular formula C9H13F3O2 and a molecular weight of 210.19 g/mol. Its IUPAC name is 2,3,3-trifluoro-4-(2-prop-1-enoxypropyl)oxetane.

Molecular Properties

Compound Name2,3,3-trifluoro-4-(2-prop-1-enoxypropyl)oxetane
PubChem CID150814803
Molecular FormulaC9H13F3O2
Molecular Weight210.19 g/mol
Exact Mass210.09
IUPAC Name2,3,3-trifluoro-4-(2-prop-1-enoxypropyl)oxetane
SMILESCC=COC(C)CC1OC(F)C1(F)F
InChIInChI=1S/C9H13F3O2/c1-3-4-13-6(2)5-7-9(11,12)8(10)14-7/h3-4,6-8H,5H2,1-2H3
InChIKeyKIQLKTKTEMRMJA-UHFFFAOYSA-N
XLogP2.64
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 ≤ 52.64
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

2,4-Difluoro-2-(2-prop-1-enoxyethyl)oxetane
CID 150007912
2,3-Difluoro-2-(2-prop-1-enoxypropyl)oxetane
CID 150404889
2-[2-(2-Methylprop-1-enoxy)ethyl]-4-(1,1,2,2,2-pentafluoroethyl)oxetane
CID 150477532
2,3-Difluoro-2-(2-prop-1-enoxyethyl)oxetane
CID 151089497

Frequently Asked Questions

What is the IUPAC name of 2,3,3-trifluoro-4-(2-prop-1-enoxypropyl)oxetane?
The IUPAC name of 2,3,3-trifluoro-4-(2-prop-1-enoxypropyl)oxetane (CID 150814803) is 2,3,3-trifluoro-4-(2-prop-1-enoxypropyl)oxetane.
What is the SMILES notation for 2,3,3-trifluoro-4-(2-prop-1-enoxypropyl)oxetane?
The canonical SMILES for 2,3,3-trifluoro-4-(2-prop-1-enoxypropyl)oxetane is CC=COC(C)CC1OC(F)C1(F)F.
What is the InChIKey of 2,3,3-trifluoro-4-(2-prop-1-enoxypropyl)oxetane?
The InChIKey is KIQLKTKTEMRMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3O2/c1-3-4-13-6(2)5-7-9(11,12)8(10)14-7/h3-4,6-8H,5H2,1-2H3.
What are the key properties of 2,3,3-trifluoro-4-(2-prop-1-enoxypropyl)oxetane?
2,3,3-trifluoro-4-(2-prop-1-enoxypropyl)oxetane has a molecular weight of 210.19 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trifluoro-4-(2-prop-1-enoxypropyl)oxetane is sourced from PubChem (CID 150814803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).