[(2R)-pyrrolidin-2-yl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone

C11H15F3N2O — CID 104930317

IUPAC[(2R)-pyrrolidin-2-yl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESO=C([C@H]1CCCN1)N1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C11H15F3N2O/c12-11(13,14)8-3-6-16(7-4-8)10(17)9-2-1-5-15-9/h3,9,15H,1-2,4-7H2/t9-/m1/s1
InChIKeyNEYCFKVTFCCEPN-SECBINFHSA-N
MW248.25 g/mol
LogP1.46
Rot. Bonds1

About [(2R)-pyrrolidin-2-yl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone

[(2R)-pyrrolidin-2-yl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone (PubChem CID 104930317) has the molecular formula C11H15F3N2O and a molecular weight of 248.25 g/mol. Its IUPAC name is [(2R)-pyrrolidin-2-yl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone.

Molecular Properties

Compound Name[(2R)-pyrrolidin-2-yl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
PubChem CID104930317
Molecular FormulaC11H15F3N2O
Molecular Weight248.25 g/mol
Exact Mass248.11
IUPAC Name[(2R)-pyrrolidin-2-yl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESO=C([C@H]1CCCN1)N1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C11H15F3N2O/c12-11(13,14)8-3-6-16(7-4-8)10(17)9-2-1-5-15-9/h3,9,15H,1-2,4-7H2/t9-/m1/s1
InChIKeyNEYCFKVTFCCEPN-SECBINFHSA-N
XLogP1.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrrolidine-2-carboxamide
CID 72050188
(2S,4R)-1-(cyclohexen-1-ylmethyl)-4-fluoropyrrolidine-2-carboxamide
CID 126793843
(4,4-Difluoropyrrolidin-2-yl)-(4-methylidenepiperidin-1-yl)methanone
CID 58902706
2-Amino-4-(cyclohexen-1-ylmethylamino)-1-(3-fluoropyrrolidin-1-yl)butan-1-one
CID 69238003
(3Z)-3-ethylidene-4,4-difluoro-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 70334851
(3Z)-N-ethyl-3-ethylidene-4,4-difluoropyrrolidine-2-carboxamide
CID 70335154
4-fluoro-N-(3-fluorobut-3-enyl)pyrrolidine-2-carboxamide
CID 123608838
(2S,4R)-4-fluoro-N-[(2R)-3-fluoro-4-methylpent-3-en-2-yl]pyrrolidine-2-carboxamide
CID 126622920
(2S,4R)-4-fluoro-N-[(2S)-3-fluoro-4-methylpent-3-en-2-yl]pyrrolidine-2-carboxamide
CID 126623038
(2S,4R)-N-chloro-4-fluoro-N-[(2R)-3-fluoro-4-methylpent-3-en-2-yl]pyrrolidine-2-carboxamide
CID 140318874
(2S,4R)-N-chloro-4-fluoro-N-[(2S)-3-fluoro-4-methylpent-3-en-2-yl]pyrrolidine-2-carboxamide
CID 140318905
N-[(6-fluoro-5-methylcyclohexa-1,5-dien-1-yl)methyl]pyrrolidine-2-carboxamide
CID 144912267

Frequently Asked Questions

What is the IUPAC name of [(2R)-pyrrolidin-2-yl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The IUPAC name of [(2R)-pyrrolidin-2-yl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone (CID 104930317) is [(2R)-pyrrolidin-2-yl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone.
What is the SMILES notation for [(2R)-pyrrolidin-2-yl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The canonical SMILES for [(2R)-pyrrolidin-2-yl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone is O=C([C@H]1CCCN1)N1CC=C(C(F)(F)F)CC1.
What is the InChIKey of [(2R)-pyrrolidin-2-yl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The InChIKey is NEYCFKVTFCCEPN-SECBINFHSA-N. The full InChI is InChI=1S/C11H15F3N2O/c12-11(13,14)8-3-6-16(7-4-8)10(17)9-2-1-5-15-9/h3,9,15H,1-2,4-7H2/t9-/m1/s1.
What are the key properties of [(2R)-pyrrolidin-2-yl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
[(2R)-pyrrolidin-2-yl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone has a molecular weight of 248.25 g/mol, XLogP of 1.46, 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]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone is sourced from PubChem (CID 104930317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).