(2R)-2-amino-2-cyclopropyl-1-(3,3-difluoropyrrolidin-1-yl)ethanone

C9H14F2N2O — CID 71236527

IUPAC(2R)-2-amino-2-cyclopropyl-1-(3,3-difluoropyrrolidin-1-yl)ethanone
SMILESN[C@@H](C(=O)N1CCC(F)(F)C1)C1CC1
InChIInChI=1S/C9H14F2N2O/c10-9(11)3-4-13(5-9)8(14)7(12)6-1-2-6/h6-7H,1-5,12H2/t7-/m1/s1
InChIKeyUOILCRSOEFZSRI-SSDOTTSWSA-N
MW204.22 g/mol
LogP0.59
Rot. Bonds2

About (2R)-2-amino-2-cyclopropyl-1-(3,3-difluoropyrrolidin-1-yl)ethanone

(2R)-2-amino-2-cyclopropyl-1-(3,3-difluoropyrrolidin-1-yl)ethanone (PubChem CID 71236527) has the molecular formula C9H14F2N2O and a molecular weight of 204.22 g/mol. Its IUPAC name is (2R)-2-amino-2-cyclopropyl-1-(3,3-difluoropyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name(2R)-2-amino-2-cyclopropyl-1-(3,3-difluoropyrrolidin-1-yl)ethanone
PubChem CID71236527
Molecular FormulaC9H14F2N2O
Molecular Weight204.22 g/mol
Exact Mass204.11
IUPAC Name(2R)-2-amino-2-cyclopropyl-1-(3,3-difluoropyrrolidin-1-yl)ethanone
SMILESN[C@@H](C(=O)N1CCC(F)(F)C1)C1CC1
InChIInChI=1S/C9H14F2N2O/c10-9(11)3-4-13(5-9)8(14)7(12)6-1-2-6/h6-7H,1-5,12H2/t7-/m1/s1
InChIKeyUOILCRSOEFZSRI-SSDOTTSWSA-N
XLogP0.59
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-cyclopropyl-1-(3,3-difluoropyrrolidin-1-yl)ethanone?
The IUPAC name of (2R)-2-amino-2-cyclopropyl-1-(3,3-difluoropyrrolidin-1-yl)ethanone (CID 71236527) is (2R)-2-amino-2-cyclopropyl-1-(3,3-difluoropyrrolidin-1-yl)ethanone.
What is the SMILES notation for (2R)-2-amino-2-cyclopropyl-1-(3,3-difluoropyrrolidin-1-yl)ethanone?
The canonical SMILES for (2R)-2-amino-2-cyclopropyl-1-(3,3-difluoropyrrolidin-1-yl)ethanone is N[C@@H](C(=O)N1CCC(F)(F)C1)C1CC1.
What is the InChIKey of (2R)-2-amino-2-cyclopropyl-1-(3,3-difluoropyrrolidin-1-yl)ethanone?
The InChIKey is UOILCRSOEFZSRI-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H14F2N2O/c10-9(11)3-4-13(5-9)8(14)7(12)6-1-2-6/h6-7H,1-5,12H2/t7-/m1/s1.
What are the key properties of (2R)-2-amino-2-cyclopropyl-1-(3,3-difluoropyrrolidin-1-yl)ethanone?
(2R)-2-amino-2-cyclopropyl-1-(3,3-difluoropyrrolidin-1-yl)ethanone has a molecular weight of 204.22 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-cyclopropyl-1-(3,3-difluoropyrrolidin-1-yl)ethanone is sourced from PubChem (CID 71236527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).