2,2,3-trifluoro-3-methyloxetane

C4H5F3O — CID 58421232

IUPAC2,2,3-trifluoro-3-methyloxetane
SMILESCC1(F)COC1(F)F
InChIInChI=1S/C4H5F3O/c1-3(5)2-8-4(3,6)7/h2H2,1H3
InChIKeyYKILISVUKFCPGQ-UHFFFAOYSA-N
MW126.08 g/mol
LogP1.34
Rot. Bonds

About 2,2,3-trifluoro-3-methyloxetane

2,2,3-trifluoro-3-methyloxetane (PubChem CID 58421232) has the molecular formula C4H5F3O and a molecular weight of 126.08 g/mol. Its IUPAC name is 2,2,3-trifluoro-3-methyloxetane.

Molecular Properties

Compound Name2,2,3-trifluoro-3-methyloxetane
PubChem CID58421232
Molecular FormulaC4H5F3O
Molecular Weight126.08 g/mol
Exact Mass126.03
IUPAC Name2,2,3-trifluoro-3-methyloxetane
SMILESCC1(F)COC1(F)F
InChIInChI=1S/C4H5F3O/c1-3(5)2-8-4(3,6)7/h2H2,1H3
InChIKeyYKILISVUKFCPGQ-UHFFFAOYSA-N
XLogP1.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.08
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,3-trifluoro-3-methyloxetane?
The IUPAC name of 2,2,3-trifluoro-3-methyloxetane (CID 58421232) is 2,2,3-trifluoro-3-methyloxetane.
What is the SMILES notation for 2,2,3-trifluoro-3-methyloxetane?
The canonical SMILES for 2,2,3-trifluoro-3-methyloxetane is CC1(F)COC1(F)F.
What is the InChIKey of 2,2,3-trifluoro-3-methyloxetane?
The InChIKey is YKILISVUKFCPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F3O/c1-3(5)2-8-4(3,6)7/h2H2,1H3.
What are the key properties of 2,2,3-trifluoro-3-methyloxetane?
2,2,3-trifluoro-3-methyloxetane has a molecular weight of 126.08 g/mol, XLogP of 1.34, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trifluoro-3-methyloxetane is sourced from PubChem (CID 58421232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).