3-fluoro-3-(2-methylpropyl)oxetane

C7H13FO — CID 126705505

IUPAC3-fluoro-3-(2-methylpropyl)oxetane
SMILESCC(C)CC1(F)COC1
InChIInChI=1S/C7H13FO/c1-6(2)3-7(8)4-9-5-7/h6H,3-5H2,1-2H3
InChIKeyIIRYDYJPVVTEMN-UHFFFAOYSA-N
MW132.18 g/mol
LogP1.77
Rot. Bonds2

About 3-fluoro-3-(2-methylpropyl)oxetane

3-fluoro-3-(2-methylpropyl)oxetane (PubChem CID 126705505) has the molecular formula C7H13FO and a molecular weight of 132.18 g/mol. Its IUPAC name is 3-fluoro-3-(2-methylpropyl)oxetane.

Molecular Properties

Compound Name3-fluoro-3-(2-methylpropyl)oxetane
PubChem CID126705505
Molecular FormulaC7H13FO
Molecular Weight132.18 g/mol
Exact Mass132.10
IUPAC Name3-fluoro-3-(2-methylpropyl)oxetane
SMILESCC(C)CC1(F)COC1
InChIInChI=1S/C7H13FO/c1-6(2)3-7(8)4-9-5-7/h6H,3-5H2,1-2H3
InChIKeyIIRYDYJPVVTEMN-UHFFFAOYSA-N
XLogP1.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.18
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(2-methylpropyl)oxetane?
The IUPAC name of 3-fluoro-3-(2-methylpropyl)oxetane (CID 126705505) is 3-fluoro-3-(2-methylpropyl)oxetane.
What is the SMILES notation for 3-fluoro-3-(2-methylpropyl)oxetane?
The canonical SMILES for 3-fluoro-3-(2-methylpropyl)oxetane is CC(C)CC1(F)COC1.
What is the InChIKey of 3-fluoro-3-(2-methylpropyl)oxetane?
The InChIKey is IIRYDYJPVVTEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FO/c1-6(2)3-7(8)4-9-5-7/h6H,3-5H2,1-2H3.
What are the key properties of 3-fluoro-3-(2-methylpropyl)oxetane?
3-fluoro-3-(2-methylpropyl)oxetane has a molecular weight of 132.18 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(2-methylpropyl)oxetane is sourced from PubChem (CID 126705505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).