3-propyl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)oxetane

C10H17F3O — CID 166538062

IUPAC3-propyl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)oxetane
SMILESCCCC1(C(C)(C)C(F)(F)F)COC1
InChIInChI=1S/C10H17F3O/c1-4-5-9(6-14-7-9)8(2,3)10(11,12)13/h4-7H2,1-3H3
InChIKeyAZEHIVDEUIWBTR-UHFFFAOYSA-N
MW210.24 g/mol
LogP3.39
Rot. Bonds3

About 3-propyl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)oxetane

3-propyl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)oxetane (PubChem CID 166538062) has the molecular formula C10H17F3O and a molecular weight of 210.24 g/mol. Its IUPAC name is 3-propyl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)oxetane.

Molecular Properties

Compound Name3-propyl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)oxetane
PubChem CID166538062
Molecular FormulaC10H17F3O
Molecular Weight210.24 g/mol
Exact Mass210.12
IUPAC Name3-propyl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)oxetane
SMILESCCCC1(C(C)(C)C(F)(F)F)COC1
InChIInChI=1S/C10H17F3O/c1-4-5-9(6-14-7-9)8(2,3)10(11,12)13/h4-7H2,1-3H3
InChIKeyAZEHIVDEUIWBTR-UHFFFAOYSA-N
XLogP3.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-propyl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)oxetane?
The IUPAC name of 3-propyl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)oxetane (CID 166538062) is 3-propyl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)oxetane.
What is the SMILES notation for 3-propyl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)oxetane?
The canonical SMILES for 3-propyl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)oxetane is CCCC1(C(C)(C)C(F)(F)F)COC1.
What is the InChIKey of 3-propyl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)oxetane?
The InChIKey is AZEHIVDEUIWBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3O/c1-4-5-9(6-14-7-9)8(2,3)10(11,12)13/h4-7H2,1-3H3.
What are the key properties of 3-propyl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)oxetane?
3-propyl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)oxetane has a molecular weight of 210.24 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)oxetane is sourced from PubChem (CID 166538062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).