2-amino-2-cyclopentyl-1-(3,3-difluoroazetidin-1-yl)ethanone

C10H16F2N2O — CID 22741706

IUPAC2-amino-2-cyclopentyl-1-(3,3-difluoroazetidin-1-yl)ethanone
SMILESNC(C(=O)N1CC(F)(F)C1)C1CCCC1
InChIInChI=1S/C10H16F2N2O/c11-10(12)5-14(6-10)9(15)8(13)7-3-1-2-4-7/h7-8H,1-6,13H2
InChIKeyYWPRZUAMPYJXQT-UHFFFAOYSA-N
MW218.25 g/mol
LogP0.98
Rot. Bonds2

About 2-amino-2-cyclopentyl-1-(3,3-difluoroazetidin-1-yl)ethanone

2-amino-2-cyclopentyl-1-(3,3-difluoroazetidin-1-yl)ethanone (PubChem CID 22741706) has the molecular formula C10H16F2N2O and a molecular weight of 218.25 g/mol. Its IUPAC name is 2-amino-2-cyclopentyl-1-(3,3-difluoroazetidin-1-yl)ethanone.

Molecular Properties

Compound Name2-amino-2-cyclopentyl-1-(3,3-difluoroazetidin-1-yl)ethanone
PubChem CID22741706
Molecular FormulaC10H16F2N2O
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Name2-amino-2-cyclopentyl-1-(3,3-difluoroazetidin-1-yl)ethanone
SMILESNC(C(=O)N1CC(F)(F)C1)C1CCCC1
InChIInChI=1S/C10H16F2N2O/c11-10(12)5-14(6-10)9(15)8(13)7-3-1-2-4-7/h7-8H,1-6,13H2
InChIKeyYWPRZUAMPYJXQT-UHFFFAOYSA-N
XLogP0.98
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-2-amino-2-cyclohexyl-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)ethanone
CID 9838664
(S)-2-Amino-2-cyclohexyl-1-(3-fluoro-azetidin-1-yl)-ethanone
CID 44403068
(S)-2-Amino-2-cyclohexyl-1-(3,3-difluoro-azetidin-1-yl)-ethanone
CID 44403069
(S)-2-Amino-2-cyclohexyl-1-(3,3-difluoro-pyrrolidin-1-yl)-ethanone
CID 44458617
(S)-2-Amino-1-azetidin-1-yl-2-cyclohexyl-ethanone
CID 44403067
(S)-2-Amino-2-cyclohexyl-1-((3R,4R)-3,4-difluoro-pyrrolidin-1-yl)-ethanone
CID 44402967
(S)-2-Amino-2-cyclohexyl-1-(3,4-difluoro-pyrrolidin-1-yl)-ethanone
CID 44402971
(S)-2-Amino-2-cyclohexyl-1-((3S,4S)-3,4-difluoro-pyrrolidin-1-yl)-ethanone
CID 44402970
2-Amino-2-cyclohexyl-1-(3,3-difluoroazetidin-1-yl)ethanone
CID 10014154
2-Amino-2-cyclohexyl-1-(3,3-difluoropyrrolidin-1-yl)ethanone
CID 10354555
2-Amino-2-cyclohexyl-1-(3-fluoroazetidin-1-yl)ethanone
CID 10465834
2-Amino-2-cyclohexyl-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)ethanone
CID 22645924

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopentyl-1-(3,3-difluoroazetidin-1-yl)ethanone?
The IUPAC name of 2-amino-2-cyclopentyl-1-(3,3-difluoroazetidin-1-yl)ethanone (CID 22741706) is 2-amino-2-cyclopentyl-1-(3,3-difluoroazetidin-1-yl)ethanone.
What is the SMILES notation for 2-amino-2-cyclopentyl-1-(3,3-difluoroazetidin-1-yl)ethanone?
The canonical SMILES for 2-amino-2-cyclopentyl-1-(3,3-difluoroazetidin-1-yl)ethanone is NC(C(=O)N1CC(F)(F)C1)C1CCCC1.
What is the InChIKey of 2-amino-2-cyclopentyl-1-(3,3-difluoroazetidin-1-yl)ethanone?
The InChIKey is YWPRZUAMPYJXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N2O/c11-10(12)5-14(6-10)9(15)8(13)7-3-1-2-4-7/h7-8H,1-6,13H2.
What are the key properties of 2-amino-2-cyclopentyl-1-(3,3-difluoroazetidin-1-yl)ethanone?
2-amino-2-cyclopentyl-1-(3,3-difluoroazetidin-1-yl)ethanone has a molecular weight of 218.25 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopentyl-1-(3,3-difluoroazetidin-1-yl)ethanone is sourced from PubChem (CID 22741706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).