5-phenyl-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrole

C11H10F3N — CID 71607945

IUPAC5-phenyl-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrole
SMILESFC(F)(F)C1CN=C(c2ccccc2)C1
InChIInChI=1S/C11H10F3N/c12-11(13,14)9-6-10(15-7-9)8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKeyMKTBUHQNSSZOMW-UHFFFAOYSA-N
MW213.20 g/mol
LogP3.06
Rot. Bonds1

About 5-phenyl-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrole

5-phenyl-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrole (PubChem CID 71607945) has the molecular formula C11H10F3N and a molecular weight of 213.20 g/mol. Its IUPAC name is 5-phenyl-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name5-phenyl-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrole
PubChem CID71607945
Molecular FormulaC11H10F3N
Molecular Weight213.20 g/mol
Exact Mass213.08
IUPAC Name5-phenyl-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrole
SMILESFC(F)(F)C1CN=C(c2ccccc2)C1
InChIInChI=1S/C11H10F3N/c12-11(13,14)9-6-10(15-7-9)8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKeyMKTBUHQNSSZOMW-UHFFFAOYSA-N
XLogP3.06
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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5-phenyl-3,4-dihydro-2H-pyrrole
CID 261893
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CID 127028296
Phenethylamine, N-(2,2,3,3,4,4,4-heptafluorobutylidene)-
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5-(2,5-difluorophenyl)-3,4-dihydro-2H-pyrrole
CID 58335726
1,4-Dimethyl-3,4-dihydroisoquinoline
CID 321435
3-Phenyl-2H-azirine
CID 275913
1,1-diphenyl-N-(1,1,1-trifluoropent-4-en-2-yl)methanimine
CID 10935569
N-benzyl-1,1,1-trifluoropropan-2-imine
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5-(4-Fluorophenyl)-3,4-dihydro-2H-pyrrole
CID 11147900

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrole?
The IUPAC name of 5-phenyl-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrole (CID 71607945) is 5-phenyl-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 5-phenyl-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 5-phenyl-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrole is FC(F)(F)C1CN=C(c2ccccc2)C1.
What is the InChIKey of 5-phenyl-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrole?
The InChIKey is MKTBUHQNSSZOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N/c12-11(13,14)9-6-10(15-7-9)8-4-2-1-3-5-8/h1-5,9H,6-7H2.
What are the key properties of 5-phenyl-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrole?
5-phenyl-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrole has a molecular weight of 213.20 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 71607945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).