[(2S)-1-(2-aminoacetyl)-4,4-difluoropyrrolidin-2-yl]methanesulfonyl fluoride

C7H11F3N2O3S — CID 174146157

IUPAC[(2S)-1-(2-aminoacetyl)-4,4-difluoropyrrolidin-2-yl]methanesulfonyl fluoride
SMILESNCC(=O)N1CC(F)(F)C[C@H]1CS(=O)(=O)F
InChIInChI=1S/C7H11F3N2O3S/c8-7(9)1-5(3-16(10,14)15)12(4-7)6(13)2-11/h5H,1-4,11H2/t5-/m0/s1
InChIKeyWYJZMNAGAHNWDI-YFKPBYRVSA-N
MW260.24 g/mol
LogP-0.52
Rot. Bonds3

About [(2S)-1-(2-aminoacetyl)-4,4-difluoropyrrolidin-2-yl]methanesulfonyl fluoride

[(2S)-1-(2-aminoacetyl)-4,4-difluoropyrrolidin-2-yl]methanesulfonyl fluoride (PubChem CID 174146157) has the molecular formula C7H11F3N2O3S and a molecular weight of 260.24 g/mol. Its IUPAC name is [(2S)-1-(2-aminoacetyl)-4,4-difluoropyrrolidin-2-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[(2S)-1-(2-aminoacetyl)-4,4-difluoropyrrolidin-2-yl]methanesulfonyl fluoride
PubChem CID174146157
Molecular FormulaC7H11F3N2O3S
Molecular Weight260.24 g/mol
Exact Mass260.04
IUPAC Name[(2S)-1-(2-aminoacetyl)-4,4-difluoropyrrolidin-2-yl]methanesulfonyl fluoride
SMILESNCC(=O)N1CC(F)(F)C[C@H]1CS(=O)(=O)F
InChIInChI=1S/C7H11F3N2O3S/c8-7(9)1-5(3-16(10,14)15)12(4-7)6(13)2-11/h5H,1-4,11H2/t5-/m0/s1
InChIKeyWYJZMNAGAHNWDI-YFKPBYRVSA-N
XLogP-0.52
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(2-aminoacetyl)-4,4-difluoropyrrolidin-2-yl]methanesulfonyl fluoride?
The IUPAC name of [(2S)-1-(2-aminoacetyl)-4,4-difluoropyrrolidin-2-yl]methanesulfonyl fluoride (CID 174146157) is [(2S)-1-(2-aminoacetyl)-4,4-difluoropyrrolidin-2-yl]methanesulfonyl fluoride.
What is the SMILES notation for [(2S)-1-(2-aminoacetyl)-4,4-difluoropyrrolidin-2-yl]methanesulfonyl fluoride?
The canonical SMILES for [(2S)-1-(2-aminoacetyl)-4,4-difluoropyrrolidin-2-yl]methanesulfonyl fluoride is NCC(=O)N1CC(F)(F)C[C@H]1CS(=O)(=O)F.
What is the InChIKey of [(2S)-1-(2-aminoacetyl)-4,4-difluoropyrrolidin-2-yl]methanesulfonyl fluoride?
The InChIKey is WYJZMNAGAHNWDI-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H11F3N2O3S/c8-7(9)1-5(3-16(10,14)15)12(4-7)6(13)2-11/h5H,1-4,11H2/t5-/m0/s1.
What are the key properties of [(2S)-1-(2-aminoacetyl)-4,4-difluoropyrrolidin-2-yl]methanesulfonyl fluoride?
[(2S)-1-(2-aminoacetyl)-4,4-difluoropyrrolidin-2-yl]methanesulfonyl fluoride has a molecular weight of 260.24 g/mol, XLogP of -0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(2-aminoacetyl)-4,4-difluoropyrrolidin-2-yl]methanesulfonyl fluoride is sourced from PubChem (CID 174146157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).