dipropan-2-yl 2-(trifluoromethyl)butanedioate

C11H17F3O4 — CID 23241115

IUPACdipropan-2-yl 2-(trifluoromethyl)butanedioate
SMILESCC(C)OC(=O)CC(C(=O)OC(C)C)C(F)(F)F
InChIInChI=1S/C11H17F3O4/c1-6(2)17-9(15)5-8(11(12,13)14)10(16)18-7(3)4/h6-8H,5H2,1-4H3
InChIKeyZFDUGPHIQUFCPL-UHFFFAOYSA-N
MW270.25 g/mol
LogP2.46
Rot. Bonds5

About dipropan-2-yl 2-(trifluoromethyl)butanedioate

dipropan-2-yl 2-(trifluoromethyl)butanedioate (PubChem CID 23241115) has the molecular formula C11H17F3O4 and a molecular weight of 270.25 g/mol. Its IUPAC name is dipropan-2-yl 2-(trifluoromethyl)butanedioate.

Molecular Properties

Compound Namedipropan-2-yl 2-(trifluoromethyl)butanedioate
PubChem CID23241115
Molecular FormulaC11H17F3O4
Molecular Weight270.25 g/mol
Exact Mass270.11
IUPAC Namedipropan-2-yl 2-(trifluoromethyl)butanedioate
SMILESCC(C)OC(=O)CC(C(=O)OC(C)C)C(F)(F)F
InChIInChI=1S/C11H17F3O4/c1-6(2)17-9(15)5-8(11(12,13)14)10(16)18-7(3)4/h6-8H,5H2,1-4H3
InChIKeyZFDUGPHIQUFCPL-UHFFFAOYSA-N
XLogP2.46
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

propan-2-yl (3R)-4,4,4-trifluoro-3-methylbutanoate
CID 158265536
dipropan-2-yl (2S)-2-[(2,2,2-trifluoroacetyl)amino]butanedioate
CID 14251837
propan-2-yl 3,3,3-trifluoro-2-methylpropanoate
CID 13183702
dipropan-2-yl 2-methoxybutanedioate
CID 139989231
propan-2-yl (4S)-4-amino-5,5,5-trifluoropentanoate
CID 153321783
1-O-propan-2-yl 4-O-(2,2,2-trifluoroethyl) 2-hydroxybutanedioate
CID 139675896
propan-2-yl 4,4,4-trichloro-3-methylbutanoate
CID 134975622
1,1,1,3,3,3-hexafluoropropan-2-yl 3-methylbutanoate
CID 162592800
dipropan-2-yl 2,2-difluorobutanedioate
CID 146671744
propan-2-yl (3R)-3-(dihydroxyamino)oxybutanoate
CID 89005667
dipropan-2-yl 2-(3,3,3-trifluoropropyl)propanedioate
CID 113360241
dipropan-2-yl (2S)-2-isocyanatobutanedioate
CID 131850543

Frequently Asked Questions

What is the IUPAC name of dipropan-2-yl 2-(trifluoromethyl)butanedioate?
The IUPAC name of dipropan-2-yl 2-(trifluoromethyl)butanedioate (CID 23241115) is dipropan-2-yl 2-(trifluoromethyl)butanedioate.
What is the SMILES notation for dipropan-2-yl 2-(trifluoromethyl)butanedioate?
The canonical SMILES for dipropan-2-yl 2-(trifluoromethyl)butanedioate is CC(C)OC(=O)CC(C(=O)OC(C)C)C(F)(F)F.
What is the InChIKey of dipropan-2-yl 2-(trifluoromethyl)butanedioate?
The InChIKey is ZFDUGPHIQUFCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3O4/c1-6(2)17-9(15)5-8(11(12,13)14)10(16)18-7(3)4/h6-8H,5H2,1-4H3.
What are the key properties of dipropan-2-yl 2-(trifluoromethyl)butanedioate?
dipropan-2-yl 2-(trifluoromethyl)butanedioate has a molecular weight of 270.25 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dipropan-2-yl 2-(trifluoromethyl)butanedioate is sourced from PubChem (CID 23241115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).