[(3R)-3-(fluoromethyl)pyrrolidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone

C10H17FN2O — CID 129494191

IUPAC[(3R)-3-(fluoromethyl)pyrrolidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
SMILESO=C([C@@H]1CCCN1)N1CC[C@@H](CF)C1
InChIInChI=1S/C10H17FN2O/c11-6-8-3-5-13(7-8)10(14)9-2-1-4-12-9/h8-9,12H,1-7H2/t8-,9-/m0/s1
InChIKeyBJAOBNBPBBQNLM-IUCAKERBSA-N
MW200.26 g/mol
LogP0.56
Rot. Bonds2

About [(3R)-3-(fluoromethyl)pyrrolidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone

[(3R)-3-(fluoromethyl)pyrrolidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone (PubChem CID 129494191) has the molecular formula C10H17FN2O and a molecular weight of 200.26 g/mol. Its IUPAC name is [(3R)-3-(fluoromethyl)pyrrolidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name[(3R)-3-(fluoromethyl)pyrrolidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
PubChem CID129494191
Molecular FormulaC10H17FN2O
Molecular Weight200.26 g/mol
Exact Mass200.13
IUPAC Name[(3R)-3-(fluoromethyl)pyrrolidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
SMILESO=C([C@@H]1CCCN1)N1CC[C@@H](CF)C1
InChIInChI=1S/C10H17FN2O/c11-6-8-3-5-13(7-8)10(14)9-2-1-4-12-9/h8-9,12H,1-7H2/t8-,9-/m0/s1
InChIKeyBJAOBNBPBBQNLM-IUCAKERBSA-N
XLogP0.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(fluoromethyl)azetidin-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 129496447
[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 129393876
[3-[[cyclopropylmethyl(methyl)amino]methyl]pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone
CID 119896732
[4-(hydroxymethyl)piperidin-1-yl]-pyrrolidin-2-ylmethanone
CID 43133259
[4-(aminomethyl)piperidin-1-yl]-pyrrolidin-2-ylmethanone
CID 71084950
(3-methylpyrrolidin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 103795857
2-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]acetamide
CID 54873089
[(2R)-pyrrolidin-2-yl]-[(3S)-3-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 129320770
(4-propylpiperidin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 94372824
(4-aminopiperidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 131224010
(4-aminopiperidin-1-yl)-pyrrolidin-2-ylmethanone
CID 110461351
[3-(ethoxymethyl)pyrrolidin-1-yl]-piperidin-2-ylmethanone
CID 119341172

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(fluoromethyl)pyrrolidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone?
The IUPAC name of [(3R)-3-(fluoromethyl)pyrrolidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone (CID 129494191) is [(3R)-3-(fluoromethyl)pyrrolidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone.
What is the SMILES notation for [(3R)-3-(fluoromethyl)pyrrolidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone?
The canonical SMILES for [(3R)-3-(fluoromethyl)pyrrolidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone is O=C([C@@H]1CCCN1)N1CC[C@@H](CF)C1.
What is the InChIKey of [(3R)-3-(fluoromethyl)pyrrolidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone?
The InChIKey is BJAOBNBPBBQNLM-IUCAKERBSA-N. The full InChI is InChI=1S/C10H17FN2O/c11-6-8-3-5-13(7-8)10(14)9-2-1-4-12-9/h8-9,12H,1-7H2/t8-,9-/m0/s1.
What are the key properties of [(3R)-3-(fluoromethyl)pyrrolidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone?
[(3R)-3-(fluoromethyl)pyrrolidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone has a molecular weight of 200.26 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(fluoromethyl)pyrrolidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone is sourced from PubChem (CID 129494191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).