(3R)-3,5-diphenyl-3-(trifluoromethyl)-2,4-dihydropyrrole

C17H14F3N — CID 59051782

IUPAC(3R)-3,5-diphenyl-3-(trifluoromethyl)-2,4-dihydropyrrole
SMILESFC(F)(F)[C@]1(c2ccccc2)CN=C(c2ccccc2)C1
InChIInChI=1S/C17H14F3N/c18-17(19,20)16(14-9-5-2-6-10-14)11-15(21-12-16)13-7-3-1-4-8-13/h1-10H,11-12H2/t16-/m0/s1
InChIKeyDDIFDUGQBJXYJE-INIZCTEOSA-N
MW289.30 g/mol
LogP4.38
Rot. Bonds2

About (3R)-3,5-diphenyl-3-(trifluoromethyl)-2,4-dihydropyrrole

(3R)-3,5-diphenyl-3-(trifluoromethyl)-2,4-dihydropyrrole (PubChem CID 59051782) has the molecular formula C17H14F3N and a molecular weight of 289.30 g/mol. Its IUPAC name is (3R)-3,5-diphenyl-3-(trifluoromethyl)-2,4-dihydropyrrole.

Molecular Properties

Compound Name(3R)-3,5-diphenyl-3-(trifluoromethyl)-2,4-dihydropyrrole
PubChem CID59051782
Molecular FormulaC17H14F3N
Molecular Weight289.30 g/mol
Exact Mass289.11
IUPAC Name(3R)-3,5-diphenyl-3-(trifluoromethyl)-2,4-dihydropyrrole
SMILESFC(F)(F)[C@]1(c2ccccc2)CN=C(c2ccccc2)C1
InChIInChI=1S/C17H14F3N/c18-17(19,20)16(14-9-5-2-6-10-14)11-15(21-12-16)13-7-3-1-4-8-13/h1-10H,11-12H2/t16-/m0/s1
InChIKeyDDIFDUGQBJXYJE-INIZCTEOSA-N
XLogP4.38
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Ethyl-5-methyl-3,3-diphenyl-1-pyrroline
CID 9879368
6-Phenyl-2,3,4,5-tetrahydropyridine
CID 11829725
3,4-Dihydro-1-(phenylmethyl)isoquinoline
CID 32719
1-Pyrroline, 3,3-diphenyl-2-ethyl-
CID 104403
1-Phenyl-3,4-dihydroisoquinoline
CID 609926
1-Benzyl-3,4-dihydroisoquinoline hydrochloride
CID 45048805
2-Ethyl-1,5-dimethyl-3,3-diphenylpyrrolinium
CID 10110164
2-(3-Fluorophenyl)-3,4,5,6-tetrahydro-pyridine
CID 12009050
5-(2,5-difluorophenyl)-3,4-dihydro-2H-pyrrole
CID 58335726
2,5-diphenyl-3,4-dihydro-2H-pyrrole
CID 279812
1-Pyrroline, 3,3-diphenyl-2-methyl-
CID 24845671
1,1-diphenyl-N-(1,1,1-trifluoropent-4-en-2-yl)methanimine
CID 10935569

Frequently Asked Questions

What is the IUPAC name of (3R)-3,5-diphenyl-3-(trifluoromethyl)-2,4-dihydropyrrole?
The IUPAC name of (3R)-3,5-diphenyl-3-(trifluoromethyl)-2,4-dihydropyrrole (CID 59051782) is (3R)-3,5-diphenyl-3-(trifluoromethyl)-2,4-dihydropyrrole.
What is the SMILES notation for (3R)-3,5-diphenyl-3-(trifluoromethyl)-2,4-dihydropyrrole?
The canonical SMILES for (3R)-3,5-diphenyl-3-(trifluoromethyl)-2,4-dihydropyrrole is FC(F)(F)[C@]1(c2ccccc2)CN=C(c2ccccc2)C1.
What is the InChIKey of (3R)-3,5-diphenyl-3-(trifluoromethyl)-2,4-dihydropyrrole?
The InChIKey is DDIFDUGQBJXYJE-INIZCTEOSA-N. The full InChI is InChI=1S/C17H14F3N/c18-17(19,20)16(14-9-5-2-6-10-14)11-15(21-12-16)13-7-3-1-4-8-13/h1-10H,11-12H2/t16-/m0/s1.
What are the key properties of (3R)-3,5-diphenyl-3-(trifluoromethyl)-2,4-dihydropyrrole?
(3R)-3,5-diphenyl-3-(trifluoromethyl)-2,4-dihydropyrrole has a molecular weight of 289.30 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3,5-diphenyl-3-(trifluoromethyl)-2,4-dihydropyrrole is sourced from PubChem (CID 59051782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).