3-tert-butyl-3-(fluoromethyl)oxetane

C8H15FO — CID 169031998

IUPAC3-tert-butyl-3-(fluoromethyl)oxetane
SMILESCC(C)(C)C1(CF)COC1
InChIInChI=1S/C8H15FO/c1-7(2,3)8(4-9)5-10-6-8/h4-6H2,1-3H3
InChIKeyJAQWTAWPGIEXCH-UHFFFAOYSA-N
MW146.20 g/mol
LogP2.02
Rot. Bonds1

About 3-tert-butyl-3-(fluoromethyl)oxetane

3-tert-butyl-3-(fluoromethyl)oxetane (PubChem CID 169031998) has the molecular formula C8H15FO and a molecular weight of 146.20 g/mol. Its IUPAC name is 3-tert-butyl-3-(fluoromethyl)oxetane.

Molecular Properties

Compound Name3-tert-butyl-3-(fluoromethyl)oxetane
PubChem CID169031998
Molecular FormulaC8H15FO
Molecular Weight146.20 g/mol
Exact Mass146.11
IUPAC Name3-tert-butyl-3-(fluoromethyl)oxetane
SMILESCC(C)(C)C1(CF)COC1
InChIInChI=1S/C8H15FO/c1-7(2,3)8(4-9)5-10-6-8/h4-6H2,1-3H3
InChIKeyJAQWTAWPGIEXCH-UHFFFAOYSA-N
XLogP2.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.20
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-3-(fluoromethyl)oxetane?
The IUPAC name of 3-tert-butyl-3-(fluoromethyl)oxetane (CID 169031998) is 3-tert-butyl-3-(fluoromethyl)oxetane.
What is the SMILES notation for 3-tert-butyl-3-(fluoromethyl)oxetane?
The canonical SMILES for 3-tert-butyl-3-(fluoromethyl)oxetane is CC(C)(C)C1(CF)COC1.
What is the InChIKey of 3-tert-butyl-3-(fluoromethyl)oxetane?
The InChIKey is JAQWTAWPGIEXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FO/c1-7(2,3)8(4-9)5-10-6-8/h4-6H2,1-3H3.
What are the key properties of 3-tert-butyl-3-(fluoromethyl)oxetane?
3-tert-butyl-3-(fluoromethyl)oxetane has a molecular weight of 146.20 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-3-(fluoromethyl)oxetane is sourced from PubChem (CID 169031998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).