(3-acetyloxy-2,2-difluoropropyl) acetate

C7H10F2O4 — CID 59792531

IUPAC(3-acetyloxy-2,2-difluoropropyl) acetate
SMILESCC(=O)OCC(F)(F)COC(C)=O
InChIInChI=1S/C7H10F2O4/c1-5(10)12-3-7(8,9)4-13-6(2)11/h3-4H2,1-2H3
InChIKeyDNQFOVSOAYKUCT-UHFFFAOYSA-N
MW196.15 g/mol
LogP0.75
Rot. Bonds4

About (3-acetyloxy-2,2-difluoropropyl) acetate

(3-acetyloxy-2,2-difluoropropyl) acetate (PubChem CID 59792531) has the molecular formula C7H10F2O4 and a molecular weight of 196.15 g/mol. Its IUPAC name is (3-acetyloxy-2,2-difluoropropyl) acetate.

Molecular Properties

Compound Name(3-acetyloxy-2,2-difluoropropyl) acetate
PubChem CID59792531
Molecular FormulaC7H10F2O4
Molecular Weight196.15 g/mol
Exact Mass196.05
IUPAC Name(3-acetyloxy-2,2-difluoropropyl) acetate
SMILESCC(=O)OCC(F)(F)COC(C)=O
InChIInChI=1S/C7H10F2O4/c1-5(10)12-3-7(8,9)4-13-6(2)11/h3-4H2,1-2H3
InChIKeyDNQFOVSOAYKUCT-UHFFFAOYSA-N
XLogP0.75
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.15
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-difluorobutyl acetate
CID 58275605
2,2-dimethylpropyl acetate
CID 13552
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl acetate
CID 154385185
(2,2-difluoro-2-nitroethyl) acetate
CID 87849810
(3,3,5,5,5-pentafluoro-2,2,4,4-tetramethylpentyl) acetate
CID 122500286
ethane;2,2,2-trichloroethyl acetate
CID 143703909
[2,2-difluoro-3-(2-hydroxyacetyl)oxypropyl] 2-hydroxyacetate
CID 22506457
[2,2-difluoro-3-[(2R)-oxan-2-yl]propyl] acetate
CID 145163009
(3-acetyloxy-2-cyclohexyl-2-fluoropropyl) acetate
CID 102438822
aminomethyl acetate;dihydrochloride
CID 175752598
aminomethyl acetate;hydrate
CID 173252999
[(2R)-2-amino-3-hydroxy-2-methylpropyl] acetate
CID 10844523

Frequently Asked Questions

What is the IUPAC name of (3-acetyloxy-2,2-difluoropropyl) acetate?
The IUPAC name of (3-acetyloxy-2,2-difluoropropyl) acetate (CID 59792531) is (3-acetyloxy-2,2-difluoropropyl) acetate.
What is the SMILES notation for (3-acetyloxy-2,2-difluoropropyl) acetate?
The canonical SMILES for (3-acetyloxy-2,2-difluoropropyl) acetate is CC(=O)OCC(F)(F)COC(C)=O.
What is the InChIKey of (3-acetyloxy-2,2-difluoropropyl) acetate?
The InChIKey is DNQFOVSOAYKUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2O4/c1-5(10)12-3-7(8,9)4-13-6(2)11/h3-4H2,1-2H3.
What are the key properties of (3-acetyloxy-2,2-difluoropropyl) acetate?
(3-acetyloxy-2,2-difluoropropyl) acetate has a molecular weight of 196.15 g/mol, XLogP of 0.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-acetyloxy-2,2-difluoropropyl) acetate is sourced from PubChem (CID 59792531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).