3,3-difluoro-2-propan-2-yloxetane

C6H10F2O — CID 163224603

IUPAC3,3-difluoro-2-propan-2-yloxetane
SMILESCC(C)C1OCC1(F)F
InChIInChI=1S/C6H10F2O/c1-4(2)5-6(7,8)3-9-5/h4-5H,3H2,1-2H3
InChIKeyYYVKDEBBIPNZAM-UHFFFAOYSA-N
MW136.14 g/mol
LogP1.68
Rot. Bonds1

About 3,3-difluoro-2-propan-2-yloxetane

3,3-difluoro-2-propan-2-yloxetane (PubChem CID 163224603) has the molecular formula C6H10F2O and a molecular weight of 136.14 g/mol. Its IUPAC name is 3,3-difluoro-2-propan-2-yloxetane.

Molecular Properties

Compound Name3,3-difluoro-2-propan-2-yloxetane
PubChem CID163224603
Molecular FormulaC6H10F2O
Molecular Weight136.14 g/mol
Exact Mass136.07
IUPAC Name3,3-difluoro-2-propan-2-yloxetane
SMILESCC(C)C1OCC1(F)F
InChIInChI=1S/C6H10F2O/c1-4(2)5-6(7,8)3-9-5/h4-5H,3H2,1-2H3
InChIKeyYYVKDEBBIPNZAM-UHFFFAOYSA-N
XLogP1.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.14
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-2-propan-2-yloxetane?
The IUPAC name of 3,3-difluoro-2-propan-2-yloxetane (CID 163224603) is 3,3-difluoro-2-propan-2-yloxetane.
What is the SMILES notation for 3,3-difluoro-2-propan-2-yloxetane?
The canonical SMILES for 3,3-difluoro-2-propan-2-yloxetane is CC(C)C1OCC1(F)F.
What is the InChIKey of 3,3-difluoro-2-propan-2-yloxetane?
The InChIKey is YYVKDEBBIPNZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2O/c1-4(2)5-6(7,8)3-9-5/h4-5H,3H2,1-2H3.
What are the key properties of 3,3-difluoro-2-propan-2-yloxetane?
3,3-difluoro-2-propan-2-yloxetane has a molecular weight of 136.14 g/mol, XLogP of 1.68, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-2-propan-2-yloxetane is sourced from PubChem (CID 163224603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).