4-butoxy-2,2-bis(trifluoromethyl)oxetane

C9H12F6O2 — CID 118571174

IUPAC4-butoxy-2,2-bis(trifluoromethyl)oxetane
SMILESCCCCOC1CC(C(F)(F)F)(C(F)(F)F)O1
InChIInChI=1S/C9H12F6O2/c1-2-3-4-16-6-5-7(17-6,8(10,11)12)9(13,14)15/h6H,2-5H2,1H3
InChIKeyDLQIOKFKZRKTNW-UHFFFAOYSA-N
MW266.18 g/mol
LogP3.41
Rot. Bonds4

About 4-butoxy-2,2-bis(trifluoromethyl)oxetane

4-butoxy-2,2-bis(trifluoromethyl)oxetane (PubChem CID 118571174) has the molecular formula C9H12F6O2 and a molecular weight of 266.18 g/mol. Its IUPAC name is 4-butoxy-2,2-bis(trifluoromethyl)oxetane.

Molecular Properties

Compound Name4-butoxy-2,2-bis(trifluoromethyl)oxetane
PubChem CID118571174
Molecular FormulaC9H12F6O2
Molecular Weight266.18 g/mol
Exact Mass266.07
IUPAC Name4-butoxy-2,2-bis(trifluoromethyl)oxetane
SMILESCCCCOC1CC(C(F)(F)F)(C(F)(F)F)O1
InChIInChI=1S/C9H12F6O2/c1-2-3-4-16-6-5-7(17-6,8(10,11)12)9(13,14)15/h6H,2-5H2,1H3
InChIKeyDLQIOKFKZRKTNW-UHFFFAOYSA-N
XLogP3.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.18
LogP ≤ 53.41
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-2,2-bis(trifluoromethyl)oxetane?
The IUPAC name of 4-butoxy-2,2-bis(trifluoromethyl)oxetane (CID 118571174) is 4-butoxy-2,2-bis(trifluoromethyl)oxetane.
What is the SMILES notation for 4-butoxy-2,2-bis(trifluoromethyl)oxetane?
The canonical SMILES for 4-butoxy-2,2-bis(trifluoromethyl)oxetane is CCCCOC1CC(C(F)(F)F)(C(F)(F)F)O1.
What is the InChIKey of 4-butoxy-2,2-bis(trifluoromethyl)oxetane?
The InChIKey is DLQIOKFKZRKTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F6O2/c1-2-3-4-16-6-5-7(17-6,8(10,11)12)9(13,14)15/h6H,2-5H2,1H3.
What are the key properties of 4-butoxy-2,2-bis(trifluoromethyl)oxetane?
4-butoxy-2,2-bis(trifluoromethyl)oxetane has a molecular weight of 266.18 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-2,2-bis(trifluoromethyl)oxetane is sourced from PubChem (CID 118571174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).