(2R)-5-(2-methylphenyl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole

C24H20F3NO — CID 12009787

IUPAC(2R)-5-(2-methylphenyl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole
SMILESCc1ccccc1C1=N[C@@H](c2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)CC1
InChIInChI=1S/C24H20F3NO/c1-16-4-2-3-5-21(16)23-15-14-22(28-23)19-8-6-17(7-9-19)18-10-12-20(13-11-18)29-24(25,26)27/h2-13,22H,14-15H2,1H3/t22-/m1/s1
InChIKeyRFAMEWJLMZIAOB-JOCHJYFZSA-N
MW395.42 g/mol
LogP6.88
Rot. Bonds4

About (2R)-5-(2-methylphenyl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole

(2R)-5-(2-methylphenyl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole (PubChem CID 12009787) has the molecular formula C24H20F3NO and a molecular weight of 395.42 g/mol. Its IUPAC name is (2R)-5-(2-methylphenyl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name(2R)-5-(2-methylphenyl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole
PubChem CID12009787
Molecular FormulaC24H20F3NO
Molecular Weight395.42 g/mol
Exact Mass395.15
IUPAC Name(2R)-5-(2-methylphenyl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole
SMILESCc1ccccc1C1=N[C@@H](c2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)CC1
InChIInChI=1S/C24H20F3NO/c1-16-4-2-3-5-21(16)23-15-14-22(28-23)19-8-6-17(7-9-19)18-10-12-20(13-11-18)29-24(25,26)27/h2-13,22H,14-15H2,1H3/t22-/m1/s1
InChIKeyRFAMEWJLMZIAOB-JOCHJYFZSA-N
XLogP6.88
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.42
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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CID 138975074
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CID 138975136
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Frequently Asked Questions

What is the IUPAC name of (2R)-5-(2-methylphenyl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole?
The IUPAC name of (2R)-5-(2-methylphenyl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole (CID 12009787) is (2R)-5-(2-methylphenyl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for (2R)-5-(2-methylphenyl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole?
The canonical SMILES for (2R)-5-(2-methylphenyl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole is Cc1ccccc1C1=N[C@@H](c2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)CC1.
What is the InChIKey of (2R)-5-(2-methylphenyl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole?
The InChIKey is RFAMEWJLMZIAOB-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H20F3NO/c1-16-4-2-3-5-21(16)23-15-14-22(28-23)19-8-6-17(7-9-19)18-10-12-20(13-11-18)29-24(25,26)27/h2-13,22H,14-15H2,1H3/t22-/m1/s1.
What are the key properties of (2R)-5-(2-methylphenyl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole?
(2R)-5-(2-methylphenyl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole has a molecular weight of 395.42 g/mol, XLogP of 6.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-(2-methylphenyl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 12009787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).