[3-oxo-2-(2,2,3,3,3-pentafluoropropanoyloxy)propyl] 2,2,3,3,3-pentafluoropropanoate

C9H4F10O5 — CID 91710742

IUPAC[3-oxo-2-(2,2,3,3,3-pentafluoropropanoyloxy)propyl] 2,2,3,3,3-pentafluoropropanoate
SMILESO=CC(COC(=O)C(F)(F)C(F)(F)F)OC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H4F10O5/c10-6(11,8(14,15)16)4(21)23-2-3(1-20)24-5(22)7(12,13)9(17,18)19/h1,3H,2H2
InChIKeyGSSCWNQAQDIFLA-UHFFFAOYSA-N
MW382.11 g/mol
LogP2.04
Rot. Bonds6

About [3-oxo-2-(2,2,3,3,3-pentafluoropropanoyloxy)propyl] 2,2,3,3,3-pentafluoropropanoate

[3-oxo-2-(2,2,3,3,3-pentafluoropropanoyloxy)propyl] 2,2,3,3,3-pentafluoropropanoate (PubChem CID 91710742) has the molecular formula C9H4F10O5 and a molecular weight of 382.11 g/mol. Its IUPAC name is [3-oxo-2-(2,2,3,3,3-pentafluoropropanoyloxy)propyl] 2,2,3,3,3-pentafluoropropanoate.

Molecular Properties

Compound Name[3-oxo-2-(2,2,3,3,3-pentafluoropropanoyloxy)propyl] 2,2,3,3,3-pentafluoropropanoate
PubChem CID91710742
Molecular FormulaC9H4F10O5
Molecular Weight382.11 g/mol
Exact Mass381.99
IUPAC Name[3-oxo-2-(2,2,3,3,3-pentafluoropropanoyloxy)propyl] 2,2,3,3,3-pentafluoropropanoate
SMILESO=CC(COC(=O)C(F)(F)C(F)(F)F)OC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H4F10O5/c10-6(11,8(14,15)16)4(21)23-2-3(1-20)24-5(22)7(12,13)9(17,18)19/h1,3H,2H2
InChIKeyGSSCWNQAQDIFLA-UHFFFAOYSA-N
XLogP2.04
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.11
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze [3-oxo-2-(2,2,3,3,3-pentafluoropropanoyloxy)propyl] 2,2,3,3,3-pentafluoropropanoate 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

1-aminoethyl 2,2,3,3,3-pentafluoropropanoate
CID 175224554
[2-(2,2,3,3,3-pentafluoropropanoyloxy)-2-[4-(2,2,3,3,3-pentafluoropropanoyloxy)phenyl]ethyl] 2,2,3,3,3-pentafluoropropanoate
CID 539201
2-[2-[2-[2-[2-[2-[2-[2-(2,2,3,3,3-pentafluoropropanoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2,3,3,3-pentafluoropropanoate
CID 91730729
[(2R)-1-methoxy-3-oxopropan-2-yl] carbamate
CID 175397204
1,1-difluoro-2-(2,2,3,3,3-pentafluoropropanoyloxy)ethanesulfonic acid
CID 59266970
hexan-2-yl 2,2,3,3,3-pentafluoropropanoate
CID 91710304
2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2,3,3,3-pentafluoropropanoate
CID 91730617
heptan-3-yl 2,2,3,3,3-pentafluoropropanoate
CID 91694672
[2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoyloxy)-3-(2-methylprop-2-enoyloxy)propyl] 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoate
CID 134298005
8-chlorooctyl 2,2,3,3,3-pentafluoropropanoate
CID 91692487
2-(2,2,3,3,3-pentafluoropropanoyloxy)ethyl 2,2-dimethylbutanoate
CID 87414406
decyl 2,2,3,3,3-pentafluoropropanoate
CID 536957

Frequently Asked Questions

What is the IUPAC name of [3-oxo-2-(2,2,3,3,3-pentafluoropropanoyloxy)propyl] 2,2,3,3,3-pentafluoropropanoate?
The IUPAC name of [3-oxo-2-(2,2,3,3,3-pentafluoropropanoyloxy)propyl] 2,2,3,3,3-pentafluoropropanoate (CID 91710742) is [3-oxo-2-(2,2,3,3,3-pentafluoropropanoyloxy)propyl] 2,2,3,3,3-pentafluoropropanoate.
What is the SMILES notation for [3-oxo-2-(2,2,3,3,3-pentafluoropropanoyloxy)propyl] 2,2,3,3,3-pentafluoropropanoate?
The canonical SMILES for [3-oxo-2-(2,2,3,3,3-pentafluoropropanoyloxy)propyl] 2,2,3,3,3-pentafluoropropanoate is O=CC(COC(=O)C(F)(F)C(F)(F)F)OC(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of [3-oxo-2-(2,2,3,3,3-pentafluoropropanoyloxy)propyl] 2,2,3,3,3-pentafluoropropanoate?
The InChIKey is GSSCWNQAQDIFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F10O5/c10-6(11,8(14,15)16)4(21)23-2-3(1-20)24-5(22)7(12,13)9(17,18)19/h1,3H,2H2.
What are the key properties of [3-oxo-2-(2,2,3,3,3-pentafluoropropanoyloxy)propyl] 2,2,3,3,3-pentafluoropropanoate?
[3-oxo-2-(2,2,3,3,3-pentafluoropropanoyloxy)propyl] 2,2,3,3,3-pentafluoropropanoate has a molecular weight of 382.11 g/mol, XLogP of 2.04, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-oxo-2-(2,2,3,3,3-pentafluoropropanoyloxy)propyl] 2,2,3,3,3-pentafluoropropanoate is sourced from PubChem (CID 91710742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).