2,2-difluoropropyl 2,2-difluoro-3-(2-methylprop-2-enoyloxy)pentanoate

C12H16F4O4 — CID 58352335

IUPAC2,2-difluoropropyl 2,2-difluoro-3-(2-methylprop-2-enoyloxy)pentanoate
SMILESC=C(C)C(=O)OC(CC)C(F)(F)C(=O)OCC(C)(F)F
InChIInChI=1S/C12H16F4O4/c1-5-8(20-9(17)7(2)3)12(15,16)10(18)19-6-11(4,13)14/h8H,2,5-6H2,1,3-4H3
InChIKeyGPABZGMYEKOWIR-UHFFFAOYSA-N
MW300.25 g/mol
LogP2.72
Rot. Bonds7

About 2,2-difluoropropyl 2,2-difluoro-3-(2-methylprop-2-enoyloxy)pentanoate

2,2-difluoropropyl 2,2-difluoro-3-(2-methylprop-2-enoyloxy)pentanoate (PubChem CID 58352335) has the molecular formula C12H16F4O4 and a molecular weight of 300.25 g/mol. Its IUPAC name is 2,2-difluoropropyl 2,2-difluoro-3-(2-methylprop-2-enoyloxy)pentanoate.

Molecular Properties

Compound Name2,2-difluoropropyl 2,2-difluoro-3-(2-methylprop-2-enoyloxy)pentanoate
PubChem CID58352335
Molecular FormulaC12H16F4O4
Molecular Weight300.25 g/mol
Exact Mass300.10
IUPAC Name2,2-difluoropropyl 2,2-difluoro-3-(2-methylprop-2-enoyloxy)pentanoate
SMILESC=C(C)C(=O)OC(CC)C(F)(F)C(=O)OCC(C)(F)F
InChIInChI=1S/C12H16F4O4/c1-5-8(20-9(17)7(2)3)12(15,16)10(18)19-6-11(4,13)14/h8H,2,5-6H2,1,3-4H3
InChIKeyGPABZGMYEKOWIR-UHFFFAOYSA-N
XLogP2.72
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.25
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2,2-difluoropropyl 2,2-difluoro-3-(2-methylprop-2-enoyloxy)pentanoate 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

(2-Oxooxan-4-yl) 2-(trifluoromethyl)prop-2-enoate
CID 20612650
1,2,2,3,3,4,4,4-Octafluorobutyl 4-methyl-2-methylidene-3-propan-2-yloxypentaneperoxoate
CID 54292401
2,2,2-Trifluoroethyl 3-ethyl-3-(2-methylprop-2-enoyloxy)pentanoate
CID 57435445
2,2,3,3,3-Pentafluoropropyl 3-ethyl-3-(2-methylprop-2-enoyloxy)pentanoate
CID 57435447
2,2-Difluoro-3-(2-methylprop-2-enoyloxy)butanoic acid
CID 57540354
[1,1,1-Trifluoro-4-(2-methylprop-2-enoyloxy)-2-(trifluoromethyl)butan-2-yl] 2,2,3,3,4,4,5,5-octafluoropentanoate
CID 57724369
[3,4,4,4-Tetrafluoro-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)butyl] 2-methylprop-2-enoate
CID 57724376
[1,1,1-Trifluoro-4-(2-methylprop-2-enoyloxy)-2-(trifluoromethyl)butan-2-yl] 2,2,3,3,4,4,5,5,5-nonafluoropentanoate
CID 57724454
[3-(3,3,4,4,5,5,6,6,6-Nonafluorohexoxy)-3-oxopropyl] 2-methylprop-2-enoate
CID 57811086
[3-(2,2,3,3,4,4,4-Heptafluorobutoxy)-3-oxopropyl] 2-methylprop-2-enoate
CID 57811101
Tert-butyl 2,2-difluoro-3-(2-methylprop-2-enoyloxy)butanoate
CID 58241629
2-[2,2-Difluoro-3-(2-methylprop-2-enoyloxy)pentanoyl]oxy-1,1-difluoroethanesulfonate
CID 58352291

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoropropyl 2,2-difluoro-3-(2-methylprop-2-enoyloxy)pentanoate?
The IUPAC name of 2,2-difluoropropyl 2,2-difluoro-3-(2-methylprop-2-enoyloxy)pentanoate (CID 58352335) is 2,2-difluoropropyl 2,2-difluoro-3-(2-methylprop-2-enoyloxy)pentanoate.
What is the SMILES notation for 2,2-difluoropropyl 2,2-difluoro-3-(2-methylprop-2-enoyloxy)pentanoate?
The canonical SMILES for 2,2-difluoropropyl 2,2-difluoro-3-(2-methylprop-2-enoyloxy)pentanoate is C=C(C)C(=O)OC(CC)C(F)(F)C(=O)OCC(C)(F)F.
What is the InChIKey of 2,2-difluoropropyl 2,2-difluoro-3-(2-methylprop-2-enoyloxy)pentanoate?
The InChIKey is GPABZGMYEKOWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F4O4/c1-5-8(20-9(17)7(2)3)12(15,16)10(18)19-6-11(4,13)14/h8H,2,5-6H2,1,3-4H3.
What are the key properties of 2,2-difluoropropyl 2,2-difluoro-3-(2-methylprop-2-enoyloxy)pentanoate?
2,2-difluoropropyl 2,2-difluoro-3-(2-methylprop-2-enoyloxy)pentanoate has a molecular weight of 300.25 g/mol, XLogP of 2.72, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoropropyl 2,2-difluoro-3-(2-methylprop-2-enoyloxy)pentanoate is sourced from PubChem (CID 58352335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).