(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl) 2-methylprop-2-enoate

C8H5F8NO2 — CID 145067991

IUPAC(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)ON1C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C8H5F8NO2/c1-3(2)4(18)19-17-7(13,14)5(9,10)6(11,12)8(17,15)16/h1H2,2H3
InChIKeyAKJRUNSSMXWGJR-UHFFFAOYSA-N
MW299.12 g/mol
LogP2.79
Rot. Bonds2

About (2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl) 2-methylprop-2-enoate

(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl) 2-methylprop-2-enoate (PubChem CID 145067991) has the molecular formula C8H5F8NO2 and a molecular weight of 299.12 g/mol. Its IUPAC name is (2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl) 2-methylprop-2-enoate
PubChem CID145067991
Molecular FormulaC8H5F8NO2
Molecular Weight299.12 g/mol
Exact Mass299.02
IUPAC Name(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)ON1C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C8H5F8NO2/c1-3(2)4(18)19-17-7(13,14)5(9,10)6(11,12)8(17,15)16/h1H2,2H3
InChIKeyAKJRUNSSMXWGJR-UHFFFAOYSA-N
XLogP2.79
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.12
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

methane;2-methylprop-2-enoic acid;(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl) 2-methylprop-2-enoate
CID 173050268
2-methylprop-1-ene;2-methylprop-2-enoyl 2-methylprop-2-enoate
CID 170331800
azane;ethane;bis(methyl 2-methylprop-2-enoate)
CID 173203662
ethane;bis(ethyl 2-methylprop-2-enoate)
CID 146295289
methyl 2-methylprop-2-enoate;propan-2-one
CID 18939878
methyl 2-methylprop-2-enoate;nickel
CID 88732958
methyl 2-methylprop-2-enoate;polane
CID 173074189
methyl 2-methylprop-2-enoate;phosphane
CID 158704529
methane;bis(methyl 2-methylprop-2-enoate)
CID 159008219
[1,2-dihydroxy-2-(2-methylprop-2-enoyloxy)cyclohexyl] 2-methylprop-2-enoate
CID 140677617
1-(dimethylamino)ethyl 2-methylprop-2-enoate;hydrobromide
CID 19073826
[4,5,5,6,6-pentafluoro-4-[2-[1,5,5,6,6-pentafluoro-4-(2-methylprop-2-enoyloxy)cyclohex-2-en-1-yl]propan-2-yl]cyclohex-2-en-1-yl] 2-methylprop-2-enoate
CID 159137055

Frequently Asked Questions

What is the IUPAC name of (2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl) 2-methylprop-2-enoate?
The IUPAC name of (2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl) 2-methylprop-2-enoate (CID 145067991) is (2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl) 2-methylprop-2-enoate.
What is the SMILES notation for (2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl) 2-methylprop-2-enoate?
The canonical SMILES for (2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl) 2-methylprop-2-enoate is C=C(C)C(=O)ON1C(F)(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of (2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl) 2-methylprop-2-enoate?
The InChIKey is AKJRUNSSMXWGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F8NO2/c1-3(2)4(18)19-17-7(13,14)5(9,10)6(11,12)8(17,15)16/h1H2,2H3.
What are the key properties of (2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl) 2-methylprop-2-enoate?
(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl) 2-methylprop-2-enoate has a molecular weight of 299.12 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl) 2-methylprop-2-enoate is sourced from PubChem (CID 145067991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).