5-(2-chlorophenyl)-2-[4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole

C24H18ClF4NO — CID 18335727

IUPAC5-(2-chlorophenyl)-2-[4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole
SMILESFC(F)C(F)(F)Oc1ccc(-c2ccc(C3CCC(c4ccccc4Cl)=N3)cc2)cc1
InChIInChI=1S/C24H18ClF4NO/c25-20-4-2-1-3-19(20)22-14-13-21(30-22)17-7-5-15(6-8-17)16-9-11-18(12-10-16)31-24(28,29)23(26)27/h1-12,21,23H,13-14H2
InChIKeyOPRPNVPXTWXDGQ-UHFFFAOYSA-N
MW447.86 g/mol
LogP7.57
Rot. Bonds6

About 5-(2-chlorophenyl)-2-[4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole

5-(2-chlorophenyl)-2-[4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole (PubChem CID 18335727) has the molecular formula C24H18ClF4NO and a molecular weight of 447.86 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-2-[4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name5-(2-chlorophenyl)-2-[4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole
PubChem CID18335727
Molecular FormulaC24H18ClF4NO
Molecular Weight447.86 g/mol
Exact Mass447.10
IUPAC Name5-(2-chlorophenyl)-2-[4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole
SMILESFC(F)C(F)(F)Oc1ccc(-c2ccc(C3CCC(c4ccccc4Cl)=N3)cc2)cc1
InChIInChI=1S/C24H18ClF4NO/c25-20-4-2-1-3-19(20)22-14-13-21(30-22)17-7-5-15(6-8-17)16-9-11-18(12-10-16)31-24(28,29)23(26)27/h1-12,21,23H,13-14H2
InChIKeyOPRPNVPXTWXDGQ-UHFFFAOYSA-N
XLogP7.57
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.86
LogP ≤ 57.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

5-(2-chlorophenyl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole
CID 9823158
2-(2,6-Difluorophenyl)-4-[4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]phenyl]-4,5-dihydro-1,3-oxazole
CID 9868418
2-(2-Chloro-6-fluorophenyl)-4-[4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydro-1,3-oxazole
CID 9889214
5-(2-methylphenyl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole
CID 9952562
5-(2,6-difluorophenyl)-3-methyl-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole
CID 10173464
4-chloro-5-(2,6-difluorophenyl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole
CID 10297729
5-(2,6-difluorophenyl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole
CID 11212223
(2R)-5-(2,6-difluorophenyl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole
CID 12009786
(2R)-5-(2-methylphenyl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole
CID 12009787
(2R)-5-(2-chlorophenyl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole
CID 12009788
(2R)-5-(2,6-difluorophenyl)-2-[4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole
CID 12009790
(2R)-5-(2,6-difluorophenyl)-2-[4-[4-(1,2,2-trifluoroethenoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole
CID 12009791

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-2-[4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole?
The IUPAC name of 5-(2-chlorophenyl)-2-[4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole (CID 18335727) is 5-(2-chlorophenyl)-2-[4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 5-(2-chlorophenyl)-2-[4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 5-(2-chlorophenyl)-2-[4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole is FC(F)C(F)(F)Oc1ccc(-c2ccc(C3CCC(c4ccccc4Cl)=N3)cc2)cc1.
What is the InChIKey of 5-(2-chlorophenyl)-2-[4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole?
The InChIKey is OPRPNVPXTWXDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClF4NO/c25-20-4-2-1-3-19(20)22-14-13-21(30-22)17-7-5-15(6-8-17)16-9-11-18(12-10-16)31-24(28,29)23(26)27/h1-12,21,23H,13-14H2.
What are the key properties of 5-(2-chlorophenyl)-2-[4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole?
5-(2-chlorophenyl)-2-[4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole has a molecular weight of 447.86 g/mol, XLogP of 7.57, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-2-[4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 18335727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).