4-butoxy-2-(fluoromethyl)-2-(trifluoromethyl)oxetane

C9H14F4O2 — CID 118586076

IUPAC4-butoxy-2-(fluoromethyl)-2-(trifluoromethyl)oxetane
SMILESCCCCOC1CC(CF)(C(F)(F)F)O1
InChIInChI=1S/C9H14F4O2/c1-2-3-4-14-7-5-8(6-10,15-7)9(11,12)13/h7H,2-6H2,1H3
InChIKeyWVUCYHIRSRXHLO-UHFFFAOYSA-N
MW230.20 g/mol
LogP2.82
Rot. Bonds5

About 4-butoxy-2-(fluoromethyl)-2-(trifluoromethyl)oxetane

4-butoxy-2-(fluoromethyl)-2-(trifluoromethyl)oxetane (PubChem CID 118586076) has the molecular formula C9H14F4O2 and a molecular weight of 230.20 g/mol. Its IUPAC name is 4-butoxy-2-(fluoromethyl)-2-(trifluoromethyl)oxetane.

Molecular Properties

Compound Name4-butoxy-2-(fluoromethyl)-2-(trifluoromethyl)oxetane
PubChem CID118586076
Molecular FormulaC9H14F4O2
Molecular Weight230.20 g/mol
Exact Mass230.09
IUPAC Name4-butoxy-2-(fluoromethyl)-2-(trifluoromethyl)oxetane
SMILESCCCCOC1CC(CF)(C(F)(F)F)O1
InChIInChI=1S/C9H14F4O2/c1-2-3-4-14-7-5-8(6-10,15-7)9(11,12)13/h7H,2-6H2,1H3
InChIKeyWVUCYHIRSRXHLO-UHFFFAOYSA-N
XLogP2.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.20
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-butoxy-2-(fluoromethyl)-2-(trifluoromethyl)oxetane?
The IUPAC name of 4-butoxy-2-(fluoromethyl)-2-(trifluoromethyl)oxetane (CID 118586076) is 4-butoxy-2-(fluoromethyl)-2-(trifluoromethyl)oxetane.
What is the SMILES notation for 4-butoxy-2-(fluoromethyl)-2-(trifluoromethyl)oxetane?
The canonical SMILES for 4-butoxy-2-(fluoromethyl)-2-(trifluoromethyl)oxetane is CCCCOC1CC(CF)(C(F)(F)F)O1.
What is the InChIKey of 4-butoxy-2-(fluoromethyl)-2-(trifluoromethyl)oxetane?
The InChIKey is WVUCYHIRSRXHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F4O2/c1-2-3-4-14-7-5-8(6-10,15-7)9(11,12)13/h7H,2-6H2,1H3.
What are the key properties of 4-butoxy-2-(fluoromethyl)-2-(trifluoromethyl)oxetane?
4-butoxy-2-(fluoromethyl)-2-(trifluoromethyl)oxetane has a molecular weight of 230.20 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-2-(fluoromethyl)-2-(trifluoromethyl)oxetane is sourced from PubChem (CID 118586076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).