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

C11H17F3N2 — CID 102819688

IUPAC1-[[(2S)-pyrrolidin-2-yl]methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
SMILESFC(F)(F)C1=CCN(C[C@@H]2CCCN2)CC1
InChIInChI=1S/C11H17F3N2/c12-11(13,14)9-3-6-16(7-4-9)8-10-2-1-5-15-10/h3,10,15H,1-2,4-8H2/t10-/m0/s1
InChIKeyQERDXHGUUQFVLP-JTQLQIEISA-N
MW234.26 g/mol
LogP1.93
Rot. Bonds2

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

1-[[(2S)-pyrrolidin-2-yl]methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine (PubChem CID 102819688) has the molecular formula C11H17F3N2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 1-[[(2S)-pyrrolidin-2-yl]methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-[[(2S)-pyrrolidin-2-yl]methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
PubChem CID102819688
Molecular FormulaC11H17F3N2
Molecular Weight234.26 g/mol
Exact Mass234.13
IUPAC Name1-[[(2S)-pyrrolidin-2-yl]methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
SMILESFC(F)(F)C1=CCN(C[C@@H]2CCCN2)CC1
InChIInChI=1S/C11H17F3N2/c12-11(13,14)9-3-6-16(7-4-9)8-10-2-1-5-15-10/h3,10,15H,1-2,4-8H2/t10-/m0/s1
InChIKeyQERDXHGUUQFVLP-JTQLQIEISA-N
XLogP1.93
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 51.93
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

1-(1-Cyclohexen-1-ylmethyl)pyrrolidine-2-methylamine
CID 3018317
(2S,4Z,6Z)-1-(3,3-difluoropyrrolidin-1-yl)-N-methyl-3-methylideneocta-4,6-dien-2-amine
CID 132122123
(1R,2R)-1-N,1-N-dimethyl-2-N-propan-2-yl-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine
CID 146526665
N-[2-(3,3-difluoropyrrolidin-2-yl)ethyl]-N,4-dimethylpent-3-en-1-amine
CID 172334446
(E)-N-[(4-fluoropyrrolidin-2-yl)methyl]-N-methylpent-3-en-1-amine
CID 172335323
(E)-N-[(3,3-difluoropyrrolidin-2-yl)methyl]-N-methylpent-3-en-1-amine
CID 172335624
N-[[3-(difluoromethylidene)-1-methylpyrrolidin-2-yl]methyl]ethanamine
CID 177054123
1-(2-Cyclohexylideneethyl)pyrrolidine-2-methylamine
CID 3024075
N-(cyclohexen-1-ylmethyl)-1-pyrrolidin-2-ylmethanamine
CID 11970593
2-cyclohexylidene-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 11971345
1-[(3-methylpyrrolidin-2-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 102776258
1-[[(2R)-pyrrolidin-2-yl]methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 102819687

Frequently Asked Questions

What is the IUPAC name of 1-[[(2S)-pyrrolidin-2-yl]methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-[[(2S)-pyrrolidin-2-yl]methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine (CID 102819688) is 1-[[(2S)-pyrrolidin-2-yl]methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-[[(2S)-pyrrolidin-2-yl]methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-[[(2S)-pyrrolidin-2-yl]methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine is FC(F)(F)C1=CCN(C[C@@H]2CCCN2)CC1.
What is the InChIKey of 1-[[(2S)-pyrrolidin-2-yl]methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine?
The InChIKey is QERDXHGUUQFVLP-JTQLQIEISA-N. The full InChI is InChI=1S/C11H17F3N2/c12-11(13,14)9-3-6-16(7-4-9)8-10-2-1-5-15-10/h3,10,15H,1-2,4-8H2/t10-/m0/s1.
What are the key properties of 1-[[(2S)-pyrrolidin-2-yl]methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine?
1-[[(2S)-pyrrolidin-2-yl]methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine has a molecular weight of 234.26 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2S)-pyrrolidin-2-yl]methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 102819688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).