3-tert-butyl-2-fluorooxetane

C7H13FO — CID 126763949

IUPAC3-tert-butyl-2-fluorooxetane
SMILESCC(C)(C)C1COC1F
InChIInChI=1S/C7H13FO/c1-7(2,3)5-4-9-6(5)8/h5-6H,4H2,1-3H3
InChIKeyVXQLYRZZRPEOBZ-UHFFFAOYSA-N
MW132.18 g/mol
LogP1.97
Rot. Bonds

About 3-tert-butyl-2-fluorooxetane

3-tert-butyl-2-fluorooxetane (PubChem CID 126763949) has the molecular formula C7H13FO and a molecular weight of 132.18 g/mol. Its IUPAC name is 3-tert-butyl-2-fluorooxetane.

Molecular Properties

Compound Name3-tert-butyl-2-fluorooxetane
PubChem CID126763949
Molecular FormulaC7H13FO
Molecular Weight132.18 g/mol
Exact Mass132.10
IUPAC Name3-tert-butyl-2-fluorooxetane
SMILESCC(C)(C)C1COC1F
InChIInChI=1S/C7H13FO/c1-7(2,3)5-4-9-6(5)8/h5-6H,4H2,1-3H3
InChIKeyVXQLYRZZRPEOBZ-UHFFFAOYSA-N
XLogP1.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.18
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2-fluorooxetane?
The IUPAC name of 3-tert-butyl-2-fluorooxetane (CID 126763949) is 3-tert-butyl-2-fluorooxetane.
What is the SMILES notation for 3-tert-butyl-2-fluorooxetane?
The canonical SMILES for 3-tert-butyl-2-fluorooxetane is CC(C)(C)C1COC1F.
What is the InChIKey of 3-tert-butyl-2-fluorooxetane?
The InChIKey is VXQLYRZZRPEOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FO/c1-7(2,3)5-4-9-6(5)8/h5-6H,4H2,1-3H3.
What are the key properties of 3-tert-butyl-2-fluorooxetane?
3-tert-butyl-2-fluorooxetane has a molecular weight of 132.18 g/mol, XLogP of 1.97, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2-fluorooxetane is sourced from PubChem (CID 126763949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).