3,3-difluoro-2-propan-2-yloxolane

C7H12F2O — CID 171518236

IUPAC3,3-difluoro-2-propan-2-yloxolane
SMILESCC(C)C1OCCC1(F)F
InChIInChI=1S/C7H12F2O/c1-5(2)6-7(8,9)3-4-10-6/h5-6H,3-4H2,1-2H3
InChIKeyJRXSYFXGSCOBNN-UHFFFAOYSA-N
MW150.17 g/mol
LogP2.07
Rot. Bonds1

About 3,3-difluoro-2-propan-2-yloxolane

3,3-difluoro-2-propan-2-yloxolane (PubChem CID 171518236) has the molecular formula C7H12F2O and a molecular weight of 150.17 g/mol. Its IUPAC name is 3,3-difluoro-2-propan-2-yloxolane.

Molecular Properties

Compound Name3,3-difluoro-2-propan-2-yloxolane
PubChem CID171518236
Molecular FormulaC7H12F2O
Molecular Weight150.17 g/mol
Exact Mass150.09
IUPAC Name3,3-difluoro-2-propan-2-yloxolane
SMILESCC(C)C1OCCC1(F)F
InChIInChI=1S/C7H12F2O/c1-5(2)6-7(8,9)3-4-10-6/h5-6H,3-4H2,1-2H3
InChIKeyJRXSYFXGSCOBNN-UHFFFAOYSA-N
XLogP2.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.17
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,3,3-trifluorooxolane
CID 142163643
(2S)-4,4-difluoro-2-methyloxane
CID 125450788
(3R)-3-propan-2-yl-2,2-bis(trifluoromethyl)oxirane
CID 59459127
3,3-difluoro-2-methyloxane
CID 146204349
(4S,5S)-4,5-di(propan-2-yl)-1,3-dioxolane
CID 23266361
2,2-difluoro-3-propan-2-yloxolane;ethane
CID 170792272
5-methyl-2-oxabicyclo[3.1.1]heptane
CID 170005463
4-methyl-2-(2-methylpropyl)oxan-4-ol
CID 3017432
[2-methyl-3-(3-methylbutan-2-yl)oxolan-3-yl]methanol
CID 130731474
1-ethyl-3,3-difluoro-2-propan-2-ylpiperidine
CID 170771668
4-(hydroxymethyl)-2-propan-2-yloxan-4-ol
CID 82713696
ethane;(1R,5S)-5-methyl-2-oxabicyclo[3.1.0]hexane
CID 155748871

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-2-propan-2-yloxolane?
The IUPAC name of 3,3-difluoro-2-propan-2-yloxolane (CID 171518236) is 3,3-difluoro-2-propan-2-yloxolane.
What is the SMILES notation for 3,3-difluoro-2-propan-2-yloxolane?
The canonical SMILES for 3,3-difluoro-2-propan-2-yloxolane is CC(C)C1OCCC1(F)F.
What is the InChIKey of 3,3-difluoro-2-propan-2-yloxolane?
The InChIKey is JRXSYFXGSCOBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2O/c1-5(2)6-7(8,9)3-4-10-6/h5-6H,3-4H2,1-2H3.
What are the key properties of 3,3-difluoro-2-propan-2-yloxolane?
3,3-difluoro-2-propan-2-yloxolane has a molecular weight of 150.17 g/mol, XLogP of 2.07, 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-yloxolane is sourced from PubChem (CID 171518236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).