dipropan-2-yl 2,2-difluorobutanedioate

C10H16F2O4 — CID 146671744

IUPACdipropan-2-yl 2,2-difluorobutanedioate
SMILESCC(C)OC(=O)CC(F)(F)C(=O)OC(C)C
InChIInChI=1S/C10H16F2O4/c1-6(2)15-8(13)5-10(11,12)9(14)16-7(3)4/h6-7H,5H2,1-4H3
InChIKeyJFVKKCOCVDIDKN-UHFFFAOYSA-N
MW238.23 g/mol
LogP1.91
Rot. Bonds5

About dipropan-2-yl 2,2-difluorobutanedioate

dipropan-2-yl 2,2-difluorobutanedioate (PubChem CID 146671744) has the molecular formula C10H16F2O4 and a molecular weight of 238.23 g/mol. Its IUPAC name is dipropan-2-yl 2,2-difluorobutanedioate.

Molecular Properties

Compound Namedipropan-2-yl 2,2-difluorobutanedioate
PubChem CID146671744
Molecular FormulaC10H16F2O4
Molecular Weight238.23 g/mol
Exact Mass238.10
IUPAC Namedipropan-2-yl 2,2-difluorobutanedioate
SMILESCC(C)OC(=O)CC(F)(F)C(=O)OC(C)C
InChIInChI=1S/C10H16F2O4/c1-6(2)15-8(13)5-10(11,12)9(14)16-7(3)4/h6-7H,5H2,1-4H3
InChIKeyJFVKKCOCVDIDKN-UHFFFAOYSA-N
XLogP1.91
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.23
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze dipropan-2-yl 2,2-difluorobutanedioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dipropan-2-yl 2-hydroxy-2-methylbutanedioate
CID 87505612
tripropan-2-yl 2-hydroperoxypropane-1,2,3-tricarboxylate
CID 87504133
dipropan-2-yl 2-(hydroxymethyl)-2-nitrobutanedioate
CID 121221515
propan-2-yl (3R)-4,4,4-trifluoro-3-methylbutanoate
CID 158265536
propan-2-yl 3-azido-3,3-difluoropropanoate
CID 14616846
propan-2-yl 2-chloro-2,2-difluoroacetate
CID 14008863
propan-2-yl 2,2-difluoro-2-iodoacetate
CID 4738502
propan-2-yl 2-(3,3,3-trifluoropropoxy)acetate
CID 82953795
1-O-ethyl 3-O-propan-2-yl 2-hydroxy-2-(trifluoromethyl)propanedioate
CID 156762008
propan-2-yl 4,4-bis[(1,1-difluoro-2-oxo-2-propan-2-yloxyethyl)sulfonyl]butanoate
CID 118886338
dipropan-2-yl 2-(trifluoromethyl)butanedioate
CID 23241115
propan-2-yl 2-amino-3,3,3-trifluoro-2-methylpropanoate
CID 79798173

Frequently Asked Questions

What is the IUPAC name of dipropan-2-yl 2,2-difluorobutanedioate?
The IUPAC name of dipropan-2-yl 2,2-difluorobutanedioate (CID 146671744) is dipropan-2-yl 2,2-difluorobutanedioate.
What is the SMILES notation for dipropan-2-yl 2,2-difluorobutanedioate?
The canonical SMILES for dipropan-2-yl 2,2-difluorobutanedioate is CC(C)OC(=O)CC(F)(F)C(=O)OC(C)C.
What is the InChIKey of dipropan-2-yl 2,2-difluorobutanedioate?
The InChIKey is JFVKKCOCVDIDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2O4/c1-6(2)15-8(13)5-10(11,12)9(14)16-7(3)4/h6-7H,5H2,1-4H3.
What are the key properties of dipropan-2-yl 2,2-difluorobutanedioate?
dipropan-2-yl 2,2-difluorobutanedioate has a molecular weight of 238.23 g/mol, XLogP of 1.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dipropan-2-yl 2,2-difluorobutanedioate is sourced from PubChem (CID 146671744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).