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

C10H16F2N2O2 — CID 123613326

IUPAC[(2R)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone
SMILESO=C(C1CCNC1)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-BRFYHDHCSA-N
MW234.25 g/mol
LogP-0.18
Rot. Bonds2

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

[(2R)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone (PubChem CID 123613326) has the molecular formula C10H16F2N2O2 and a molecular weight of 234.25 g/mol. Its IUPAC name is [(2R)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone.

Molecular Properties

Compound Name[(2R)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone
PubChem CID123613326
Molecular FormulaC10H16F2N2O2
Molecular Weight234.25 g/mol
Exact Mass234.12
IUPAC Name[(2R)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone
SMILESO=C(C1CCNC1)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-BRFYHDHCSA-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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Related Compounds

(S)-2-amino-1-((S)-3-fluoropyrrolidin-1-yl)-4-((S)-2-(hydroxymethyl)pyrrolidin-1-yl)butane-1,4-dione
CID 44561117
3-[(2R)-4,4-difluoro-2-(hydroxymethyl)pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylic acid
CID 67293758
3-[4,4-Difluoro-2-(hydroxymethyl)pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylic acid
CID 67293759
[(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-[(3R)-pyrrolidin-3-yl]methanone
CID 67294139
[(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-[(3R)-pyrrolidin-3-yl]methanone;hydrochloride
CID 67294225
[4,4-Difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride
CID 67295581
(4,4-Difluoro-2-(hydroxymethyl)pyrrolidin-1-yl)(pyrrolidin-3-yl)methanone
CID 67295582
N-(1-hydroxybutan-2-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 43419704
N-(1-hydroxy-4-methylpentan-2-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 61245334
4-[2-(Hydroxymethyl)pyrrolidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 61408847
[2-(Hydroxymethyl)pyrrolidin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 63709328
N-cyclopentyl-N-(2-hydroxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63710047

Frequently Asked Questions

What is the IUPAC name of [(2R)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone?
The IUPAC name of [(2R)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone (CID 123613326) is [(2R)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone.
What is the SMILES notation for [(2R)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone?
The canonical SMILES for [(2R)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone is O=C(C1CCNC1)N1CC(F)(F)C[C@@H]1CO.
What is the InChIKey of [(2R)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone?
The InChIKey is XXWKIJODRXLIQG-BRFYHDHCSA-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 [(2R)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone?
[(2R)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone 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 [(2R)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone is sourced from PubChem (CID 123613326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).