3-(2,2-dimethylpropanoyloxy)-2,2-difluoro-3-methylbutanoate

C10H15F2O4- — CID 164747515

IUPAC3-(2,2-dimethylpropanoyloxy)-2,2-difluoro-3-methylbutanoate
SMILESCC(C)(C)C(=O)OC(C)(C)C(F)(F)C(=O)[O-]
InChIInChI=1S/C10H16F2O4/c1-8(2,3)7(15)16-9(4,5)10(11,12)6(13)14/h1-5H3,(H,13,14)/p-1
InChIKeyQIMHWYZHJRWSDG-UHFFFAOYSA-M
MW237.22 g/mol
LogP0.74
Rot. Bonds3

About 3-(2,2-dimethylpropanoyloxy)-2,2-difluoro-3-methylbutanoate

3-(2,2-dimethylpropanoyloxy)-2,2-difluoro-3-methylbutanoate (PubChem CID 164747515) has the molecular formula C10H15F2O4- and a molecular weight of 237.22 g/mol. Its IUPAC name is 3-(2,2-dimethylpropanoyloxy)-2,2-difluoro-3-methylbutanoate.

Molecular Properties

Compound Name3-(2,2-dimethylpropanoyloxy)-2,2-difluoro-3-methylbutanoate
PubChem CID164747515
Molecular FormulaC10H15F2O4-
Molecular Weight237.22 g/mol
Exact Mass237.09
IUPAC Name3-(2,2-dimethylpropanoyloxy)-2,2-difluoro-3-methylbutanoate
SMILESCC(C)(C)C(=O)OC(C)(C)C(F)(F)C(=O)[O-]
InChIInChI=1S/C10H16F2O4/c1-8(2,3)7(15)16-9(4,5)10(11,12)6(13)14/h1-5H3,(H,13,14)/p-1
InChIKeyQIMHWYZHJRWSDG-UHFFFAOYSA-M
XLogP0.74
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1,1,1-trifluoro-2-methylpropan-2-yl) 2,2-dimethylpropanoate
CID 130411404
2-(2,2-dimethylpropanoyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propanoate
CID 148733832
dipotassium;2,2,3,3-tetrafluorobutanedioate
CID 154632126
tris(2,2,3,3,4,4-hexafluoropentanoate);indium(3+)
CID 159937984
2,2-difluoro-2-methoxyacetate
CID 164747737
2-methylbut-3-yn-2-yl 2,2-dimethylpropanoate
CID 11557353
iodanium 2,2-dimethylpropanoate
CID 172810367
barium(2+);bis(2,2-dimethylpropanoate)
CID 15120173
potassium 2,2-dimethylpropanoate
CID 23662159
2,2-dimethylpropanoate;palladium
CID 146681285
dipotassium;2,2,3,3,4,4,5,5-octafluorohexanedioate
CID 71669306
copper 2,2,3,3,4,4,5,5-octafluorohexanedioate
CID 175584674

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropanoyloxy)-2,2-difluoro-3-methylbutanoate?
The IUPAC name of 3-(2,2-dimethylpropanoyloxy)-2,2-difluoro-3-methylbutanoate (CID 164747515) is 3-(2,2-dimethylpropanoyloxy)-2,2-difluoro-3-methylbutanoate.
What is the SMILES notation for 3-(2,2-dimethylpropanoyloxy)-2,2-difluoro-3-methylbutanoate?
The canonical SMILES for 3-(2,2-dimethylpropanoyloxy)-2,2-difluoro-3-methylbutanoate is CC(C)(C)C(=O)OC(C)(C)C(F)(F)C(=O)[O-].
What is the InChIKey of 3-(2,2-dimethylpropanoyloxy)-2,2-difluoro-3-methylbutanoate?
The InChIKey is QIMHWYZHJRWSDG-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H16F2O4/c1-8(2,3)7(15)16-9(4,5)10(11,12)6(13)14/h1-5H3,(H,13,14)/p-1.
What are the key properties of 3-(2,2-dimethylpropanoyloxy)-2,2-difluoro-3-methylbutanoate?
3-(2,2-dimethylpropanoyloxy)-2,2-difluoro-3-methylbutanoate has a molecular weight of 237.22 g/mol, XLogP of 0.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropanoyloxy)-2,2-difluoro-3-methylbutanoate is sourced from PubChem (CID 164747515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).