2-(difluoromethyl)-2-methyloxetane

C5H8F2O — CID 167180996

IUPAC2-(difluoromethyl)-2-methyloxetane
SMILESCC1(C(F)F)CCO1
InChIInChI=1S/C5H8F2O/c1-5(4(6)7)2-3-8-5/h4H,2-3H2,1H3
InChIKeyPLQICGMHEARLHC-UHFFFAOYSA-N
MW122.11 g/mol
LogP1.43
Rot. Bonds1

About 2-(difluoromethyl)-2-methyloxetane

2-(difluoromethyl)-2-methyloxetane (PubChem CID 167180996) has the molecular formula C5H8F2O and a molecular weight of 122.11 g/mol. Its IUPAC name is 2-(difluoromethyl)-2-methyloxetane.

Molecular Properties

Compound Name2-(difluoromethyl)-2-methyloxetane
PubChem CID167180996
Molecular FormulaC5H8F2O
Molecular Weight122.11 g/mol
Exact Mass122.05
IUPAC Name2-(difluoromethyl)-2-methyloxetane
SMILESCC1(C(F)F)CCO1
InChIInChI=1S/C5H8F2O/c1-5(4(6)7)2-3-8-5/h4H,2-3H2,1H3
InChIKeyPLQICGMHEARLHC-UHFFFAOYSA-N
XLogP1.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.11
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-2-methyloxetane?
The IUPAC name of 2-(difluoromethyl)-2-methyloxetane (CID 167180996) is 2-(difluoromethyl)-2-methyloxetane.
What is the SMILES notation for 2-(difluoromethyl)-2-methyloxetane?
The canonical SMILES for 2-(difluoromethyl)-2-methyloxetane is CC1(C(F)F)CCO1.
What is the InChIKey of 2-(difluoromethyl)-2-methyloxetane?
The InChIKey is PLQICGMHEARLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2O/c1-5(4(6)7)2-3-8-5/h4H,2-3H2,1H3.
What are the key properties of 2-(difluoromethyl)-2-methyloxetane?
2-(difluoromethyl)-2-methyloxetane has a molecular weight of 122.11 g/mol, XLogP of 1.43, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-2-methyloxetane is sourced from PubChem (CID 167180996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).