2-(5-oxooxolan-3-yl)ethyl 2,2-difluoropropanoate

C9H12F2O4 — CID 58177616

IUPAC2-(5-oxooxolan-3-yl)ethyl 2,2-difluoropropanoate
SMILESCC(F)(F)C(=O)OCCC1COC(=O)C1
InChIInChI=1S/C9H12F2O4/c1-9(10,11)8(13)14-3-2-6-4-7(12)15-5-6/h6H,2-5H2,1H3
InChIKeyJEDGZJACXUDUOU-UHFFFAOYSA-N
MW222.19 g/mol
LogP1.14
Rot. Bonds4

About 2-(5-oxooxolan-3-yl)ethyl 2,2-difluoropropanoate

2-(5-oxooxolan-3-yl)ethyl 2,2-difluoropropanoate (PubChem CID 58177616) has the molecular formula C9H12F2O4 and a molecular weight of 222.19 g/mol. Its IUPAC name is 2-(5-oxooxolan-3-yl)ethyl 2,2-difluoropropanoate.

Molecular Properties

Compound Name2-(5-oxooxolan-3-yl)ethyl 2,2-difluoropropanoate
PubChem CID58177616
Molecular FormulaC9H12F2O4
Molecular Weight222.19 g/mol
Exact Mass222.07
IUPAC Name2-(5-oxooxolan-3-yl)ethyl 2,2-difluoropropanoate
SMILESCC(F)(F)C(=O)OCCC1COC(=O)C1
InChIInChI=1S/C9H12F2O4/c1-9(10,11)8(13)14-3-2-6-4-7(12)15-5-6/h6H,2-5H2,1H3
InChIKeyJEDGZJACXUDUOU-UHFFFAOYSA-N
XLogP1.14
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.19
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Sodium 2,2-difluoro-2-(oxolan-3-yl)acetate
CID 165671477
Ethyl 2-(2-oxooxolan-3-yl)acetate
CID 281855
Glutaric acid, 2,2,3,3-tetrafluoropropyl 3-methyl-5-methoxypentyl ester
CID 91692289
Glutaric acid, 2,2,3,3-tetrafluoropropyl 2-ethylbutyl ester
CID 91736492
3-(2-(Acetyloxy)ethyl)dihydro-2(3H)-furanone
CID 11008384
2,2-Difluoro-2-(oxolan-3-yl)acetic acid
CID 84717108
Difluoro-(tetrahydro-furan-3-yl)-acetic acid ethyl ester
CID 101183778
ethyl (1S,5R)-6-fluoro-3-oxabicyclo[3.1.0]hexane-6-carboxylate
CID 134933579
Ethyl 3,3,3-trifluoro-2-(oxolan-3-yl)propanoate
CID 135038789
3-Furanacetic acid, tetrahydro-2-oxo-, methyl ester
CID 11469210
Bis(2,2,3,3,4,4,5,5-octafluoropentyl) 3-methylpentanedioate
CID 219175
Diethyl 3-(trifluoromethyl)pentanedioate
CID 15120316

Frequently Asked Questions

What is the IUPAC name of 2-(5-oxooxolan-3-yl)ethyl 2,2-difluoropropanoate?
The IUPAC name of 2-(5-oxooxolan-3-yl)ethyl 2,2-difluoropropanoate (CID 58177616) is 2-(5-oxooxolan-3-yl)ethyl 2,2-difluoropropanoate.
What is the SMILES notation for 2-(5-oxooxolan-3-yl)ethyl 2,2-difluoropropanoate?
The canonical SMILES for 2-(5-oxooxolan-3-yl)ethyl 2,2-difluoropropanoate is CC(F)(F)C(=O)OCCC1COC(=O)C1.
What is the InChIKey of 2-(5-oxooxolan-3-yl)ethyl 2,2-difluoropropanoate?
The InChIKey is JEDGZJACXUDUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2O4/c1-9(10,11)8(13)14-3-2-6-4-7(12)15-5-6/h6H,2-5H2,1H3.
What are the key properties of 2-(5-oxooxolan-3-yl)ethyl 2,2-difluoropropanoate?
2-(5-oxooxolan-3-yl)ethyl 2,2-difluoropropanoate has a molecular weight of 222.19 g/mol, XLogP of 1.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-oxooxolan-3-yl)ethyl 2,2-difluoropropanoate is sourced from PubChem (CID 58177616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).