oxolan-2-ylmethyl 2,2-difluoropropanoate

C8H12F2O3 — CID 58391826

IUPACoxolan-2-ylmethyl 2,2-difluoropropanoate
SMILESCC(F)(F)C(=O)OCC1CCCO1
InChIInChI=1S/C8H12F2O3/c1-8(9,10)7(11)13-5-6-3-2-4-12-6/h6H,2-5H2,1H3
InChIKeyUEVZOGWNKYOSNG-UHFFFAOYSA-N
MW194.18 g/mol
LogP1.36
Rot. Bonds3

About oxolan-2-ylmethyl 2,2-difluoropropanoate

oxolan-2-ylmethyl 2,2-difluoropropanoate (PubChem CID 58391826) has the molecular formula C8H12F2O3 and a molecular weight of 194.18 g/mol. Its IUPAC name is oxolan-2-ylmethyl 2,2-difluoropropanoate.

Molecular Properties

Compound Nameoxolan-2-ylmethyl 2,2-difluoropropanoate
PubChem CID58391826
Molecular FormulaC8H12F2O3
Molecular Weight194.18 g/mol
Exact Mass194.08
IUPAC Nameoxolan-2-ylmethyl 2,2-difluoropropanoate
SMILESCC(F)(F)C(=O)OCC1CCCO1
InChIInChI=1S/C8H12F2O3/c1-8(9,10)7(11)13-5-6-3-2-4-12-6/h6H,2-5H2,1H3
InChIKeyUEVZOGWNKYOSNG-UHFFFAOYSA-N
XLogP1.36
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.18
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Tetrahydrofurfuryl propionate
CID 61183
Tetrahydrofurfuryl butyrate
CID 551316
Succinic acid, 1,1,1-trifluoroprop-2-yl tetrahydrofurfuryl ester
CID 91695862
[(3R,4R,5R)-4-acetyloxy-5-(difluoromethyl)oxolan-3-yl] acetate
CID 134995578
Heptafluorobutyric acid, 2-tetrahydrofurylmethyl ester
CID 551224
(Tetrahydro-2-furanyl)methyl 2,2,2-trifluoroacetate
CID 551258
[(2R,3S,4R,5S)-3,4-diacetyloxy-5-fluorooxolan-2-yl]methyl acetate
CID 14260686
[Difluoro-(2,3,3,5,5-pentafluorooxolan-2-yl)methyl] 3,3,3-trifluoropropanoate
CID 21015221
[(2R,3S,4R,5R)-3,4-diacetyloxy-5-fluorooxolan-2-yl]methyl acetate
CID 21732412
[(2R,3R,4R,5R)-3,4-diacetyloxy-5-fluorooxolan-2-yl]methyl acetate
CID 21732413
[(2R,3R,4R,5S)-3,4-diacetyloxy-5-fluorooxolan-2-yl]methyl acetate
CID 21732414
[2-Oxo-2-(oxolan-2-ylmethoxy)ethyl] 2,2-difluoropropanoate
CID 58391807

Frequently Asked Questions

What is the IUPAC name of oxolan-2-ylmethyl 2,2-difluoropropanoate?
The IUPAC name of oxolan-2-ylmethyl 2,2-difluoropropanoate (CID 58391826) is oxolan-2-ylmethyl 2,2-difluoropropanoate.
What is the SMILES notation for oxolan-2-ylmethyl 2,2-difluoropropanoate?
The canonical SMILES for oxolan-2-ylmethyl 2,2-difluoropropanoate is CC(F)(F)C(=O)OCC1CCCO1.
What is the InChIKey of oxolan-2-ylmethyl 2,2-difluoropropanoate?
The InChIKey is UEVZOGWNKYOSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2O3/c1-8(9,10)7(11)13-5-6-3-2-4-12-6/h6H,2-5H2,1H3.
What are the key properties of oxolan-2-ylmethyl 2,2-difluoropropanoate?
oxolan-2-ylmethyl 2,2-difluoropropanoate has a molecular weight of 194.18 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-ylmethyl 2,2-difluoropropanoate is sourced from PubChem (CID 58391826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).