5-[3-(trifluoromethyl)-3,4-dihydro-2H-pyrrol-5-yl]-2,3-dihydropyridine

C10H11F3N2 — CID 143484812

IUPAC5-[3-(trifluoromethyl)-3,4-dihydro-2H-pyrrol-5-yl]-2,3-dihydropyridine
SMILESFC(F)(F)C1CN=C(C2=CCCN=C2)C1
InChIInChI=1S/C10H11F3N2/c11-10(12,13)8-4-9(15-6-8)7-2-1-3-14-5-7/h2,5,8H,1,3-4,6H2
InChIKeyIJCUWQHEDJZUDR-UHFFFAOYSA-N
MW216.21 g/mol
LogP2.41
Rot. Bonds1

About 5-[3-(trifluoromethyl)-3,4-dihydro-2H-pyrrol-5-yl]-2,3-dihydropyridine

5-[3-(trifluoromethyl)-3,4-dihydro-2H-pyrrol-5-yl]-2,3-dihydropyridine (PubChem CID 143484812) has the molecular formula C10H11F3N2 and a molecular weight of 216.21 g/mol. Its IUPAC name is 5-[3-(trifluoromethyl)-3,4-dihydro-2H-pyrrol-5-yl]-2,3-dihydropyridine.

Molecular Properties

Compound Name5-[3-(trifluoromethyl)-3,4-dihydro-2H-pyrrol-5-yl]-2,3-dihydropyridine
PubChem CID143484812
Molecular FormulaC10H11F3N2
Molecular Weight216.21 g/mol
Exact Mass216.09
IUPAC Name5-[3-(trifluoromethyl)-3,4-dihydro-2H-pyrrol-5-yl]-2,3-dihydropyridine
SMILESFC(F)(F)C1CN=C(C2=CCCN=C2)C1
InChIInChI=1S/C10H11F3N2/c11-10(12,13)8-4-9(15-6-8)7-2-1-3-14-5-7/h2,5,8H,1,3-4,6H2
InChIKeyIJCUWQHEDJZUDR-UHFFFAOYSA-N
XLogP2.41
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.21
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-fluoro-3,3a,4,5-tetrahydro-2H-indole
CID 123727030
2-fluoro-2-methyl-4-propan-2-yl-3H-pyridine
CID 135127173
4-Methyl-2-propan-2-yl-3-(trifluoromethyl)-2,3-dihydropyridine
CID 172628097
5-(3,4-dihydro-2H-pyrrol-5-yl)-2,3-dihydropyridine
CID 146620666

Frequently Asked Questions

What is the IUPAC name of 5-[3-(trifluoromethyl)-3,4-dihydro-2H-pyrrol-5-yl]-2,3-dihydropyridine?
The IUPAC name of 5-[3-(trifluoromethyl)-3,4-dihydro-2H-pyrrol-5-yl]-2,3-dihydropyridine (CID 143484812) is 5-[3-(trifluoromethyl)-3,4-dihydro-2H-pyrrol-5-yl]-2,3-dihydropyridine.
What is the SMILES notation for 5-[3-(trifluoromethyl)-3,4-dihydro-2H-pyrrol-5-yl]-2,3-dihydropyridine?
The canonical SMILES for 5-[3-(trifluoromethyl)-3,4-dihydro-2H-pyrrol-5-yl]-2,3-dihydropyridine is FC(F)(F)C1CN=C(C2=CCCN=C2)C1.
What is the InChIKey of 5-[3-(trifluoromethyl)-3,4-dihydro-2H-pyrrol-5-yl]-2,3-dihydropyridine?
The InChIKey is IJCUWQHEDJZUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2/c11-10(12,13)8-4-9(15-6-8)7-2-1-3-14-5-7/h2,5,8H,1,3-4,6H2.
What are the key properties of 5-[3-(trifluoromethyl)-3,4-dihydro-2H-pyrrol-5-yl]-2,3-dihydropyridine?
5-[3-(trifluoromethyl)-3,4-dihydro-2H-pyrrol-5-yl]-2,3-dihydropyridine has a molecular weight of 216.21 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(trifluoromethyl)-3,4-dihydro-2H-pyrrol-5-yl]-2,3-dihydropyridine is sourced from PubChem (CID 143484812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).