[(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-[(3R)-pyrrolidin-3-yl]methanone

C10H16F2N2O2 — CID 67294139

IUPAC[(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-[(3R)-pyrrolidin-3-yl]methanone
SMILESO=C([C@@H]1CCNC1)N1CC(F)(F)C[C@H]1CO
InChIInChI=1S/C10H16F2N2O2/c11-10(12)3-8(5-15)14(6-10)9(16)7-1-2-13-4-7/h7-8,13,15H,1-6H2/t7-,8+/m1/s1
InChIKeyXXWKIJODRXLIQG-SFYZADRCSA-N
MW234.25 g/mol
LogP-0.18
Rot. Bonds2

About [(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-[(3R)-pyrrolidin-3-yl]methanone

[(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-[(3R)-pyrrolidin-3-yl]methanone (PubChem CID 67294139) has the molecular formula C10H16F2N2O2 and a molecular weight of 234.25 g/mol. Its IUPAC name is [(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-[(3R)-pyrrolidin-3-yl]methanone.

Molecular Properties

Compound Name[(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-[(3R)-pyrrolidin-3-yl]methanone
PubChem CID67294139
Molecular FormulaC10H16F2N2O2
Molecular Weight234.25 g/mol
Exact Mass234.12
IUPAC Name[(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-[(3R)-pyrrolidin-3-yl]methanone
SMILESO=C([C@@H]1CCNC1)N1CC(F)(F)C[C@H]1CO
InChIInChI=1S/C10H16F2N2O2/c11-10(12)3-8(5-15)14(6-10)9(16)7-1-2-13-4-7/h7-8,13,15H,1-6H2/t7-,8+/m1/s1
InChIKeyXXWKIJODRXLIQG-SFYZADRCSA-N
XLogP-0.18
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-[(3R)-pyrrolidin-3-yl]methanone?
The IUPAC name of [(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-[(3R)-pyrrolidin-3-yl]methanone (CID 67294139) is [(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-[(3R)-pyrrolidin-3-yl]methanone.
What is the SMILES notation for [(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-[(3R)-pyrrolidin-3-yl]methanone?
The canonical SMILES for [(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-[(3R)-pyrrolidin-3-yl]methanone is O=C([C@@H]1CCNC1)N1CC(F)(F)C[C@H]1CO.
What is the InChIKey of [(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-[(3R)-pyrrolidin-3-yl]methanone?
The InChIKey is XXWKIJODRXLIQG-SFYZADRCSA-N. The full InChI is InChI=1S/C10H16F2N2O2/c11-10(12)3-8(5-15)14(6-10)9(16)7-1-2-13-4-7/h7-8,13,15H,1-6H2/t7-,8+/m1/s1.
What are the key properties of [(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-[(3R)-pyrrolidin-3-yl]methanone?
[(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-[(3R)-pyrrolidin-3-yl]methanone has a molecular weight of 234.25 g/mol, XLogP of -0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-[(3R)-pyrrolidin-3-yl]methanone is sourced from PubChem (CID 67294139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).