4-[(2S)-1-(2-fluoroethyl)pyrrolidin-2-yl]-1-methyl-3,6-dihydro-2H-pyridine

C12H21FN2 — CID 138552900

IUPAC4-[(2S)-1-(2-fluoroethyl)pyrrolidin-2-yl]-1-methyl-3,6-dihydro-2H-pyridine
SMILESCN1CC=C([C@@H]2CCCN2CCF)CC1
InChIInChI=1S/C12H21FN2/c1-14-8-4-11(5-9-14)12-3-2-7-15(12)10-6-13/h4,12H,2-3,5-10H2,1H3/t12-/m0/s1
InChIKeyJIBPDNLJCPDFES-LBPRGKRZSA-N
MW212.31 g/mol
LogP1.68
Rot. Bonds3

About 4-[(2S)-1-(2-fluoroethyl)pyrrolidin-2-yl]-1-methyl-3,6-dihydro-2H-pyridine

4-[(2S)-1-(2-fluoroethyl)pyrrolidin-2-yl]-1-methyl-3,6-dihydro-2H-pyridine (PubChem CID 138552900) has the molecular formula C12H21FN2 and a molecular weight of 212.31 g/mol. Its IUPAC name is 4-[(2S)-1-(2-fluoroethyl)pyrrolidin-2-yl]-1-methyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name4-[(2S)-1-(2-fluoroethyl)pyrrolidin-2-yl]-1-methyl-3,6-dihydro-2H-pyridine
PubChem CID138552900
Molecular FormulaC12H21FN2
Molecular Weight212.31 g/mol
Exact Mass212.17
IUPAC Name4-[(2S)-1-(2-fluoroethyl)pyrrolidin-2-yl]-1-methyl-3,6-dihydro-2H-pyridine
SMILESCN1CC=C([C@@H]2CCCN2CCF)CC1
InChIInChI=1S/C12H21FN2/c1-14-8-4-11(5-9-14)12-3-2-7-15(12)10-6-13/h4,12H,2-3,5-10H2,1H3/t12-/m0/s1
InChIKeyJIBPDNLJCPDFES-LBPRGKRZSA-N
XLogP1.68
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.31
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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1-methyl-4-(1-methylpyrrolidin-2-yl)-3,6-dihydro-2H-pyridine
CID 44376874
N-Methylnicotin
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N-ethyl nicotine
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1-(2,5-Difluorocyclohex-2-en-1-yl)-3-methylpyrrolidine
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3-ethyl-1-[[(4R)-4-fluorocyclohexen-1-yl]methyl]-2-methylpyrrolidine
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CID 123245342
1-But-1-en-2-yl-2-(4-fluorobut-2-en-2-yl)pyrrolidine
CID 123701396
1-Ethyl-2-(4-fluoropenta-2,4-dien-2-yl)pyrrolidine
CID 123887890
(2R)-2-[(3E,5E)-5-fluorohepta-1,3,5-trien-3-yl]-1-methylpyrrolidine
CID 134386180
2,2-difluoro-7-methyl-3,5,8,8a-tetrahydro-1H-indolizine
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Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-1-(2-fluoroethyl)pyrrolidin-2-yl]-1-methyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 4-[(2S)-1-(2-fluoroethyl)pyrrolidin-2-yl]-1-methyl-3,6-dihydro-2H-pyridine (CID 138552900) is 4-[(2S)-1-(2-fluoroethyl)pyrrolidin-2-yl]-1-methyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 4-[(2S)-1-(2-fluoroethyl)pyrrolidin-2-yl]-1-methyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 4-[(2S)-1-(2-fluoroethyl)pyrrolidin-2-yl]-1-methyl-3,6-dihydro-2H-pyridine is CN1CC=C([C@@H]2CCCN2CCF)CC1.
What is the InChIKey of 4-[(2S)-1-(2-fluoroethyl)pyrrolidin-2-yl]-1-methyl-3,6-dihydro-2H-pyridine?
The InChIKey is JIBPDNLJCPDFES-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H21FN2/c1-14-8-4-11(5-9-14)12-3-2-7-15(12)10-6-13/h4,12H,2-3,5-10H2,1H3/t12-/m0/s1.
What are the key properties of 4-[(2S)-1-(2-fluoroethyl)pyrrolidin-2-yl]-1-methyl-3,6-dihydro-2H-pyridine?
4-[(2S)-1-(2-fluoroethyl)pyrrolidin-2-yl]-1-methyl-3,6-dihydro-2H-pyridine has a molecular weight of 212.31 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-1-(2-fluoroethyl)pyrrolidin-2-yl]-1-methyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 138552900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).