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

C10H16F2N2O2 — CID 129499909

IUPAC[(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
SMILESO=C([C@H]1CCCN1)N1CC(F)(F)C[C@H]1CO
InChIInChI=1S/C10H16F2N2O2/c11-10(12)4-7(5-15)14(6-10)9(16)8-2-1-3-13-8/h7-8,13,15H,1-6H2/t7-,8+/m0/s1
InChIKeyKTDVIWSVAKVWJD-JGVFFNPUSA-N
MW234.25 g/mol
LogP-0.03
Rot. Bonds2

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

[(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone (PubChem CID 129499909) 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]-[(2R)-pyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name[(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
PubChem CID129499909
Molecular FormulaC10H16F2N2O2
Molecular Weight234.25 g/mol
Exact Mass234.12
IUPAC Name[(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
SMILESO=C([C@H]1CCCN1)N1CC(F)(F)C[C@H]1CO
InChIInChI=1S/C10H16F2N2O2/c11-10(12)4-7(5-15)14(6-10)9(16)8-2-1-3-13-8/h7-8,13,15H,1-6H2/t7-,8+/m0/s1
InChIKeyKTDVIWSVAKVWJD-JGVFFNPUSA-N
XLogP-0.03
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 ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

[4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone
CID 121204077
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone
CID 103840926
[2-(hydroxymethyl)pyrrolidin-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 104913741
1-[(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 147076228
1-[4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 58790405
azepan-2-yl-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 107217930
azepan-2-yl-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116634620
(2-ethylpiperidin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 103793731
(3,3-difluoropyrrolidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
CID 135306349
(2-ethylpiperidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 61154160
3-[(2R)-4,4-difluoro-2-(hydroxymethyl)pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate
CID 154220517
[2-(2-hydroxyethyl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 61149225

Frequently Asked Questions

What is the IUPAC name of [(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone?
The IUPAC name of [(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone (CID 129499909) is [(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone.
What is the SMILES notation for [(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone?
The canonical SMILES for [(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone is O=C([C@H]1CCCN1)N1CC(F)(F)C[C@H]1CO.
What is the InChIKey of [(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone?
The InChIKey is KTDVIWSVAKVWJD-JGVFFNPUSA-N. The full InChI is InChI=1S/C10H16F2N2O2/c11-10(12)4-7(5-15)14(6-10)9(16)8-2-1-3-13-8/h7-8,13,15H,1-6H2/t7-,8+/m0/s1.
What are the key properties of [(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone?
[(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone has a molecular weight of 234.25 g/mol, XLogP of -0.03, 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]-[(2R)-pyrrolidin-2-yl]methanone is sourced from PubChem (CID 129499909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).