2-amino-4-methyl-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)pentan-1-one

C10H16F4N2O — CID 10467578

IUPAC2-amino-4-methyl-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)pentan-1-one
SMILESCC(C)CC(N)C(=O)N1CC(F)(F)C(F)(F)C1
InChIInChI=1S/C10H16F4N2O/c1-6(2)3-7(15)8(17)16-4-9(11,12)10(13,14)5-16/h6-7H,3-5,15H2,1-2H3
InChIKeyNQIBBERTKDLLAS-UHFFFAOYSA-N
MW256.24 g/mol
LogP1.47
Rot. Bonds3

About 2-amino-4-methyl-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)pentan-1-one

2-amino-4-methyl-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)pentan-1-one (PubChem CID 10467578) has the molecular formula C10H16F4N2O and a molecular weight of 256.24 g/mol. Its IUPAC name is 2-amino-4-methyl-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)pentan-1-one.

Molecular Properties

Compound Name2-amino-4-methyl-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)pentan-1-one
PubChem CID10467578
Molecular FormulaC10H16F4N2O
Molecular Weight256.24 g/mol
Exact Mass256.12
IUPAC Name2-amino-4-methyl-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)pentan-1-one
SMILESCC(C)CC(N)C(=O)N1CC(F)(F)C(F)(F)C1
InChIInChI=1S/C10H16F4N2O/c1-6(2)3-7(15)8(17)16-4-9(11,12)10(13,14)5-16/h6-7H,3-5,15H2,1-2H3
InChIKeyNQIBBERTKDLLAS-UHFFFAOYSA-N
XLogP1.47
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.24
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S,4S)-1-((2S,3S)-2-amino-3-methylpentanoyl)-4-fluoropyrrolidine-2-carbonitrile
CID 9859384
(2S,4S)-1-[(2S,3R)-2-amino-3-methylpentanoyl]-4-fluoropyrrolidine-2-carbonitrile
CID 12069363
L-leucyl-L-prolinamide
CID 11557656
L-valyl-L-prolinamide
CID 11615440
(2S)-1-[(2S,3R)-2-amino-3-methylpentanoyl]-4,4-difluoropyrrolidine-2-carbonitrile
CID 122194796
Pyrrolidine, 1-[(2S,3R)-2-amino-3-methyl-1-oxopentyl]-
CID 9794073
(2S,3S)-2-amino-3-methyl-1-(pyrrolidin-1-yl)pentan-1-one
CID 9796352
(S)-2-amino-2-cyclohexyl-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)ethanone
CID 9838664
(2S)-N-(cyanomethyl)-4-methyl-2-[(2,2,2-trifluoroethyl)amino]pentanamide
CID 23648297
1-(2-Acetylamino-propionyl)-pyrrolidine-2-carboxylic acid (3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)-amide
CID 21155714
Tfa-Val-Pro-Val-CF3
CID 73345742
Ac-Val-Pro-Val-CF3
CID 73353306

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)pentan-1-one?
The IUPAC name of 2-amino-4-methyl-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)pentan-1-one (CID 10467578) is 2-amino-4-methyl-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)pentan-1-one.
What is the SMILES notation for 2-amino-4-methyl-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)pentan-1-one?
The canonical SMILES for 2-amino-4-methyl-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)pentan-1-one is CC(C)CC(N)C(=O)N1CC(F)(F)C(F)(F)C1.
What is the InChIKey of 2-amino-4-methyl-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)pentan-1-one?
The InChIKey is NQIBBERTKDLLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F4N2O/c1-6(2)3-7(15)8(17)16-4-9(11,12)10(13,14)5-16/h6-7H,3-5,15H2,1-2H3.
What are the key properties of 2-amino-4-methyl-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)pentan-1-one?
2-amino-4-methyl-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)pentan-1-one has a molecular weight of 256.24 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)pentan-1-one is sourced from PubChem (CID 10467578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).