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

C10H15F3N2O — CID 129320770

IUPAC[(2R)-pyrrolidin-2-yl]-[(3S)-3-(trifluoromethyl)pyrrolidin-1-yl]methanone
SMILESO=C([C@H]1CCCN1)N1CC[C@H](C(F)(F)F)C1
InChIInChI=1S/C10H15F3N2O/c11-10(12,13)7-3-5-15(6-7)9(16)8-2-1-4-14-8/h7-8,14H,1-6H2/t7-,8+/m0/s1
InChIKeyOODUVXCBICIMKY-JGVFFNPUSA-N
MW236.24 g/mol
LogP1.15
Rot. Bonds1

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

[(2R)-pyrrolidin-2-yl]-[(3S)-3-(trifluoromethyl)pyrrolidin-1-yl]methanone (PubChem CID 129320770) has the molecular formula C10H15F3N2O and a molecular weight of 236.24 g/mol. Its IUPAC name is [(2R)-pyrrolidin-2-yl]-[(3S)-3-(trifluoromethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[(2R)-pyrrolidin-2-yl]-[(3S)-3-(trifluoromethyl)pyrrolidin-1-yl]methanone
PubChem CID129320770
Molecular FormulaC10H15F3N2O
Molecular Weight236.24 g/mol
Exact Mass236.11
IUPAC Name[(2R)-pyrrolidin-2-yl]-[(3S)-3-(trifluoromethyl)pyrrolidin-1-yl]methanone
SMILESO=C([C@H]1CCCN1)N1CC[C@H](C(F)(F)F)C1
InChIInChI=1S/C10H15F3N2O/c11-10(12,13)7-3-5-15(6-7)9(16)8-2-1-4-14-8/h7-8,14H,1-6H2/t7-,8+/m0/s1
InChIKeyOODUVXCBICIMKY-JGVFFNPUSA-N
XLogP1.15
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S)-pyrrolidin-2-yl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 129365590
[(2R)-piperidin-2-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride
CID 119707243
[(2S)-piperidin-2-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride
CID 119707264
(3-methylpyrrolidin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 103795857
(4-tert-butylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
CID 119311371
[(3R)-3-(fluoromethyl)pyrrolidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 129494191
1-(pyrrolidine-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 10081902
pyrrolidin-1-yl(pyrrolidin-2-yl)methanone
CID 550904
(4-tert-butylazepan-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
CID 119326041
1-[(2S)-pyrrolidine-2-carbonyl]piperidine-4-carboxamide
CID 7175999
pyrrolidin-3-yl-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 121201194
pyrrolidin-2-yl-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]methanone;hydrochloride
CID 91660155

Frequently Asked Questions

What is the IUPAC name of [(2R)-pyrrolidin-2-yl]-[(3S)-3-(trifluoromethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [(2R)-pyrrolidin-2-yl]-[(3S)-3-(trifluoromethyl)pyrrolidin-1-yl]methanone (CID 129320770) is [(2R)-pyrrolidin-2-yl]-[(3S)-3-(trifluoromethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [(2R)-pyrrolidin-2-yl]-[(3S)-3-(trifluoromethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [(2R)-pyrrolidin-2-yl]-[(3S)-3-(trifluoromethyl)pyrrolidin-1-yl]methanone is O=C([C@H]1CCCN1)N1CC[C@H](C(F)(F)F)C1.
What is the InChIKey of [(2R)-pyrrolidin-2-yl]-[(3S)-3-(trifluoromethyl)pyrrolidin-1-yl]methanone?
The InChIKey is OODUVXCBICIMKY-JGVFFNPUSA-N. The full InChI is InChI=1S/C10H15F3N2O/c11-10(12,13)7-3-5-15(6-7)9(16)8-2-1-4-14-8/h7-8,14H,1-6H2/t7-,8+/m0/s1.
What are the key properties of [(2R)-pyrrolidin-2-yl]-[(3S)-3-(trifluoromethyl)pyrrolidin-1-yl]methanone?
[(2R)-pyrrolidin-2-yl]-[(3S)-3-(trifluoromethyl)pyrrolidin-1-yl]methanone has a molecular weight of 236.24 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-pyrrolidin-2-yl]-[(3S)-3-(trifluoromethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 129320770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).