N-[2-fluoro-2-(2,3,4,5-tetrafluoropyrrolidin-1-yl)propyl]-2-methylprop-2-enamide

C11H15F5N2O — CID 102304835

IUPACN-[2-fluoro-2-(2,3,4,5-tetrafluoropyrrolidin-1-yl)propyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCC(C)(F)N1C(F)C(F)C(F)C1F
InChIInChI=1S/C11H15F5N2O/c1-5(2)10(19)17-4-11(3,16)18-8(14)6(12)7(13)9(18)15/h6-9H,1,4H2,2-3H3,(H,17,19)
InChIKeyCHSGEFWUQCADLN-UHFFFAOYSA-N
MW286.24 g/mol
LogP1.95
Rot. Bonds4

About N-[2-fluoro-2-(2,3,4,5-tetrafluoropyrrolidin-1-yl)propyl]-2-methylprop-2-enamide

N-[2-fluoro-2-(2,3,4,5-tetrafluoropyrrolidin-1-yl)propyl]-2-methylprop-2-enamide (PubChem CID 102304835) has the molecular formula C11H15F5N2O and a molecular weight of 286.24 g/mol. Its IUPAC name is N-[2-fluoro-2-(2,3,4,5-tetrafluoropyrrolidin-1-yl)propyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[2-fluoro-2-(2,3,4,5-tetrafluoropyrrolidin-1-yl)propyl]-2-methylprop-2-enamide
PubChem CID102304835
Molecular FormulaC11H15F5N2O
Molecular Weight286.24 g/mol
Exact Mass286.11
IUPAC NameN-[2-fluoro-2-(2,3,4,5-tetrafluoropyrrolidin-1-yl)propyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCC(C)(F)N1C(F)C(F)C(F)C1F
InChIInChI=1S/C11H15F5N2O/c1-5(2)10(19)17-4-11(3,16)18-8(14)6(12)7(13)9(18)15/h6-9H,1,4H2,2-3H3,(H,17,19)
InChIKeyCHSGEFWUQCADLN-UHFFFAOYSA-N
XLogP1.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.24
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(3,3-difluoropyrrolidin-1-yl)methyl]-N-(2,2-dimethylpropyl)prop-2-enamide
CID 176757604
2-[(3,3-difluoropyrrolidin-1-yl)methyl]-N-(2,2-dimethylpropyl)prop-2-enamide;molecular hydrogen
CID 177013167
2-[(3,3-difluoropyrrolidin-1-yl)methyl]-N-methylprop-2-enamide
CID 177013656
2-[(3,3-difluoropyrrolidin-1-yl)methyl]-N-ethylprop-2-enamide;ethane
CID 177014372
2-[(3,3-difluoropyrrolidin-1-yl)methyl]-N-ethylprop-2-enamide
CID 177014373
2-methyl-N-(2-pyrrolidin-1-ylethyl)prop-2-enamide
CID 18464084
1-(3,4-Diaminopyrrolidin-1-yl)-2-methylprop-2-en-1-one
CID 142661562
N-ethyl-2-methyl-N-[(3S)-pyrrolidin-3-yl]prop-2-enamide
CID 171505351
2-methyl-N-pyrrolidin-3-ylprop-2-enamide
CID 129982379
1-[3-(Ethylamino)pyrrolidin-1-yl]-2-methylprop-2-en-1-one
CID 165439781
N-ethyl-2-methyl-N-(pyrrolidin-3-yl)prop-2-enamide
CID 165440282

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-2-(2,3,4,5-tetrafluoropyrrolidin-1-yl)propyl]-2-methylprop-2-enamide?
The IUPAC name of N-[2-fluoro-2-(2,3,4,5-tetrafluoropyrrolidin-1-yl)propyl]-2-methylprop-2-enamide (CID 102304835) is N-[2-fluoro-2-(2,3,4,5-tetrafluoropyrrolidin-1-yl)propyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[2-fluoro-2-(2,3,4,5-tetrafluoropyrrolidin-1-yl)propyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[2-fluoro-2-(2,3,4,5-tetrafluoropyrrolidin-1-yl)propyl]-2-methylprop-2-enamide is C=C(C)C(=O)NCC(C)(F)N1C(F)C(F)C(F)C1F.
What is the InChIKey of N-[2-fluoro-2-(2,3,4,5-tetrafluoropyrrolidin-1-yl)propyl]-2-methylprop-2-enamide?
The InChIKey is CHSGEFWUQCADLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F5N2O/c1-5(2)10(19)17-4-11(3,16)18-8(14)6(12)7(13)9(18)15/h6-9H,1,4H2,2-3H3,(H,17,19).
What are the key properties of N-[2-fluoro-2-(2,3,4,5-tetrafluoropyrrolidin-1-yl)propyl]-2-methylprop-2-enamide?
N-[2-fluoro-2-(2,3,4,5-tetrafluoropyrrolidin-1-yl)propyl]-2-methylprop-2-enamide has a molecular weight of 286.24 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-2-(2,3,4,5-tetrafluoropyrrolidin-1-yl)propyl]-2-methylprop-2-enamide is sourced from PubChem (CID 102304835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).