(5-oxooxolan-2-yl)methyl 2,2-difluoropropanoate

C8H10F2O4 — CID 59602483

IUPAC(5-oxooxolan-2-yl)methyl 2,2-difluoropropanoate
SMILESCC(F)(F)C(=O)OCC1CCC(=O)O1
InChIInChI=1S/C8H10F2O4/c1-8(9,10)7(12)13-4-5-2-3-6(11)14-5/h5H,2-4H2,1H3
InChIKeyJVCIAMPKWLIZKX-UHFFFAOYSA-N
MW208.16 g/mol
LogP0.89
Rot. Bonds3

About (5-oxooxolan-2-yl)methyl 2,2-difluoropropanoate

(5-oxooxolan-2-yl)methyl 2,2-difluoropropanoate (PubChem CID 59602483) has the molecular formula C8H10F2O4 and a molecular weight of 208.16 g/mol. Its IUPAC name is (5-oxooxolan-2-yl)methyl 2,2-difluoropropanoate.

Molecular Properties

Compound Name(5-oxooxolan-2-yl)methyl 2,2-difluoropropanoate
PubChem CID59602483
Molecular FormulaC8H10F2O4
Molecular Weight208.16 g/mol
Exact Mass208.05
IUPAC Name(5-oxooxolan-2-yl)methyl 2,2-difluoropropanoate
SMILESCC(F)(F)C(=O)OCC1CCC(=O)O1
InChIInChI=1S/C8H10F2O4/c1-8(9,10)7(12)13-4-5-2-3-6(11)14-5/h5H,2-4H2,1H3
InChIKeyJVCIAMPKWLIZKX-UHFFFAOYSA-N
XLogP0.89
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.16
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5-Oxooxolan-2-yl)methyl acetate
CID 13462618
Succinic acid, 2,2,3,3-tetrafluoropropyl tetrahydrofurfuryl ester
CID 91695630
Succinic acid, 2,2,3,3,4,4,5,5-octafluoropentyl tetrahydrofurfuryl ester
CID 91695631
Succinic acid, 1,1,1-trifluoroprop-2-yl tetrahydrofurfuryl ester
CID 91695862
4-Trifluoroacetoxymethyl-4-butanolide
CID 129812714
[(2S)-5-oxooxolan-2-yl]methyl acetate
CID 13462620
(5S)-5-(methoxymethyl)oxolan-2-one
CID 14768494
5-(Ethoxymethyl)oxolan-2-one
CID 15757506
Heptafluorobutyric acid, 2-tetrahydrofurylmethyl ester
CID 551224
4,4,5,5,5-Pentafluoropentyl tetrahydro-2-furanylmethyl succinate
CID 44827893
methyl (2S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoropropanoate
CID 9815651
Ethyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-difluoropropanoate
CID 14411331

Frequently Asked Questions

What is the IUPAC name of (5-oxooxolan-2-yl)methyl 2,2-difluoropropanoate?
The IUPAC name of (5-oxooxolan-2-yl)methyl 2,2-difluoropropanoate (CID 59602483) is (5-oxooxolan-2-yl)methyl 2,2-difluoropropanoate.
What is the SMILES notation for (5-oxooxolan-2-yl)methyl 2,2-difluoropropanoate?
The canonical SMILES for (5-oxooxolan-2-yl)methyl 2,2-difluoropropanoate is CC(F)(F)C(=O)OCC1CCC(=O)O1.
What is the InChIKey of (5-oxooxolan-2-yl)methyl 2,2-difluoropropanoate?
The InChIKey is JVCIAMPKWLIZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2O4/c1-8(9,10)7(12)13-4-5-2-3-6(11)14-5/h5H,2-4H2,1H3.
What are the key properties of (5-oxooxolan-2-yl)methyl 2,2-difluoropropanoate?
(5-oxooxolan-2-yl)methyl 2,2-difluoropropanoate has a molecular weight of 208.16 g/mol, XLogP of 0.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-oxooxolan-2-yl)methyl 2,2-difluoropropanoate is sourced from PubChem (CID 59602483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).