(2S)-2-amino-2-cyclopentyl-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)ethanone

C11H16F4N2O — CID 87844260

IUPAC(2S)-2-amino-2-cyclopentyl-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)ethanone
SMILESN[C@H](C(=O)N1CC(F)(F)C(F)(F)C1)C1CCCC1
InChIInChI=1S/C11H16F4N2O/c12-10(13)5-17(6-11(10,14)15)9(18)8(16)7-3-1-2-4-7/h7-8H,1-6,16H2/t8-/m0/s1
InChIKeyRLIHWACNHYCJJL-QMMMGPOBSA-N
MW268.25 g/mol
LogP1.62
Rot. Bonds2

About (2S)-2-amino-2-cyclopentyl-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)ethanone

(2S)-2-amino-2-cyclopentyl-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)ethanone (PubChem CID 87844260) has the molecular formula C11H16F4N2O and a molecular weight of 268.25 g/mol. Its IUPAC name is (2S)-2-amino-2-cyclopentyl-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name(2S)-2-amino-2-cyclopentyl-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)ethanone
PubChem CID87844260
Molecular FormulaC11H16F4N2O
Molecular Weight268.25 g/mol
Exact Mass268.12
IUPAC Name(2S)-2-amino-2-cyclopentyl-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)ethanone
SMILESN[C@H](C(=O)N1CC(F)(F)C(F)(F)C1)C1CCCC1
InChIInChI=1S/C11H16F4N2O/c12-10(13)5-17(6-11(10,14)15)9(18)8(16)7-3-1-2-4-7/h7-8H,1-6,16H2/t8-/m0/s1
InChIKeyRLIHWACNHYCJJL-QMMMGPOBSA-N
XLogP1.62
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.25
LogP ≤ 51.62
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

2-amino-2-cyclohexyl-1-(4,4-difluoropiperidin-1-yl)ethanone
CID 10106678
[(1S)-1-cyclohexyl-2-oxo-2-(3,3,4,4-tetrafluoropyrrolidin-1-yl)ethyl]carbamic acid
CID 154330797
2-amino-2-cyclohexyl-1-(4,4-dimethylpiperidin-1-yl)ethanone
CID 176578739
2-amino-2-cyclopentyl-1-morpholin-4-ylethanone
CID 54288734
bis((2S)-2-amino-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)propan-1-one);dihydrochloride
CID 158386943
(2R)-2-amino-2-cyclopropyl-1-(3,3-dimethylpyrrolidin-1-yl)ethanone;ethane
CID 144942279
(2S)-2-amino-3-methyl-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)butan-1-one
CID 87843578
2-amino-2-cyclohexyl-1-(1,3-thiazolidin-3-yl)ethanone
CID 75031187
(2S)-2-amino-2-cyclohexyl-1-(1,3-thiazinan-3-yl)ethanone
CID 142261867
[1-(2-amino-2-cyclopentylacetyl)pyrrolidin-3-yl]boronic acid
CID 16755147
1-[(2R)-2-amino-2-cyclopropylacetyl]-3-ethylazetidine-3-carbonitrile
CID 71236306
1-[2-amino-2-(4,4-difluorocyclohexyl)acetyl]pyrrolidine-3-carboxylic acid
CID 166305545

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-cyclopentyl-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)ethanone?
The IUPAC name of (2S)-2-amino-2-cyclopentyl-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)ethanone (CID 87844260) is (2S)-2-amino-2-cyclopentyl-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)ethanone.
What is the SMILES notation for (2S)-2-amino-2-cyclopentyl-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)ethanone?
The canonical SMILES for (2S)-2-amino-2-cyclopentyl-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)ethanone is N[C@H](C(=O)N1CC(F)(F)C(F)(F)C1)C1CCCC1.
What is the InChIKey of (2S)-2-amino-2-cyclopentyl-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)ethanone?
The InChIKey is RLIHWACNHYCJJL-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H16F4N2O/c12-10(13)5-17(6-11(10,14)15)9(18)8(16)7-3-1-2-4-7/h7-8H,1-6,16H2/t8-/m0/s1.
What are the key properties of (2S)-2-amino-2-cyclopentyl-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)ethanone?
(2S)-2-amino-2-cyclopentyl-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)ethanone has a molecular weight of 268.25 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-cyclopentyl-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)ethanone is sourced from PubChem (CID 87844260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).