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

C13H21F3N2 — CID 114490119

IUPAC1-[(2-ethylpyrrolidin-2-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
SMILESCCC1(CN2CC=C(C(F)(F)F)CC2)CCCN1
InChIInChI=1S/C13H21F3N2/c1-2-12(6-3-7-17-12)10-18-8-4-11(5-9-18)13(14,15)16/h4,17H,2-3,5-10H2,1H3
InChIKeyLICCUXGRJAHBTF-UHFFFAOYSA-N
MW262.32 g/mol
LogP2.71
Rot. Bonds3

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

1-[(2-ethylpyrrolidin-2-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine (PubChem CID 114490119) has the molecular formula C13H21F3N2 and a molecular weight of 262.32 g/mol. Its IUPAC name is 1-[(2-ethylpyrrolidin-2-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-[(2-ethylpyrrolidin-2-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
PubChem CID114490119
Molecular FormulaC13H21F3N2
Molecular Weight262.32 g/mol
Exact Mass262.17
IUPAC Name1-[(2-ethylpyrrolidin-2-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
SMILESCCC1(CN2CC=C(C(F)(F)F)CC2)CCCN1
InChIInChI=1S/C13H21F3N2/c1-2-12(6-3-7-17-12)10-18-8-4-11(5-9-18)13(14,15)16/h4,17H,2-3,5-10H2,1H3
InChIKeyLICCUXGRJAHBTF-UHFFFAOYSA-N
XLogP2.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 52.71
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

(3S)-7,7-difluoro-2-methyl-4-azaspiro[2.4]hept-1-ene
CID 162414798
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(1R,2R)-1-N,1-N-dimethyl-2-N-(2-methylbutan-2-yl)-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine
CID 134438486
7,7-Difluoro-2-methyl-4-azaspiro[2.4]hept-1-ene
CID 146640284
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
1-[[(2S)-pyrrolidin-2-yl]methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 102819688
2-N-[2-(cyclopenten-1-yl)ethyl]-6,6,6-trifluoro-2-methylhexane-1,2-diamine
CID 106173187
1-[(2-propylpyrrolidin-2-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 106976554
6,6,6-trifluoro-2-methyl-2-N-[(E)-pent-3-enyl]hexane-1,2-diamine
CID 113533893
N-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-2,2,2-trifluoroethanamine
CID 113588400
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Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethylpyrrolidin-2-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-[(2-ethylpyrrolidin-2-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine (CID 114490119) is 1-[(2-ethylpyrrolidin-2-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-[(2-ethylpyrrolidin-2-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-[(2-ethylpyrrolidin-2-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine is CCC1(CN2CC=C(C(F)(F)F)CC2)CCCN1.
What is the InChIKey of 1-[(2-ethylpyrrolidin-2-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine?
The InChIKey is LICCUXGRJAHBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2/c1-2-12(6-3-7-17-12)10-18-8-4-11(5-9-18)13(14,15)16/h4,17H,2-3,5-10H2,1H3.
What are the key properties of 1-[(2-ethylpyrrolidin-2-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine?
1-[(2-ethylpyrrolidin-2-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine has a molecular weight of 262.32 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethylpyrrolidin-2-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 114490119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).