(2R)-5-(2,6-difluorophenyl)-2-[4-[4-(1,2,2-trifluoroethenoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole

C24H16F5NO — CID 12009791

IUPAC(2R)-5-(2,6-difluorophenyl)-2-[4-[4-(1,2,2-trifluoroethenoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole
SMILESFC(F)=C(F)Oc1ccc(-c2ccc([C@H]3CCC(c4c(F)cccc4F)=N3)cc2)cc1
InChIInChI=1S/C24H16F5NO/c25-18-2-1-3-19(26)22(18)21-13-12-20(30-21)16-6-4-14(5-7-16)15-8-10-17(11-9-15)31-24(29)23(27)28/h1-11,20H,12-13H2/t20-/m1/s1
InChIKeyNZUFRXFGJUOXHT-HXUWFJFHSA-N
MW429.39 g/mol
LogP7.37
Rot. Bonds5

About (2R)-5-(2,6-difluorophenyl)-2-[4-[4-(1,2,2-trifluoroethenoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole

(2R)-5-(2,6-difluorophenyl)-2-[4-[4-(1,2,2-trifluoroethenoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole (PubChem CID 12009791) has the molecular formula C24H16F5NO and a molecular weight of 429.39 g/mol. Its IUPAC name is (2R)-5-(2,6-difluorophenyl)-2-[4-[4-(1,2,2-trifluoroethenoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name(2R)-5-(2,6-difluorophenyl)-2-[4-[4-(1,2,2-trifluoroethenoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole
PubChem CID12009791
Molecular FormulaC24H16F5NO
Molecular Weight429.39 g/mol
Exact Mass429.12
IUPAC Name(2R)-5-(2,6-difluorophenyl)-2-[4-[4-(1,2,2-trifluoroethenoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole
SMILESFC(F)=C(F)Oc1ccc(-c2ccc([C@H]3CCC(c4c(F)cccc4F)=N3)cc2)cc1
InChIInChI=1S/C24H16F5NO/c25-18-2-1-3-19(26)22(18)21-13-12-20(30-21)16-6-4-14(5-7-16)15-8-10-17(11-9-15)31-24(29)23(27)28/h1-11,20H,12-13H2/t20-/m1/s1
InChIKeyNZUFRXFGJUOXHT-HXUWFJFHSA-N
XLogP7.37
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.39
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-5-(2,6-difluorophenyl)-2-[4-[4-(1,2,2-trifluoroethenoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole?
The IUPAC name of (2R)-5-(2,6-difluorophenyl)-2-[4-[4-(1,2,2-trifluoroethenoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole (CID 12009791) is (2R)-5-(2,6-difluorophenyl)-2-[4-[4-(1,2,2-trifluoroethenoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for (2R)-5-(2,6-difluorophenyl)-2-[4-[4-(1,2,2-trifluoroethenoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole?
The canonical SMILES for (2R)-5-(2,6-difluorophenyl)-2-[4-[4-(1,2,2-trifluoroethenoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole is FC(F)=C(F)Oc1ccc(-c2ccc([C@H]3CCC(c4c(F)cccc4F)=N3)cc2)cc1.
What is the InChIKey of (2R)-5-(2,6-difluorophenyl)-2-[4-[4-(1,2,2-trifluoroethenoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole?
The InChIKey is NZUFRXFGJUOXHT-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H16F5NO/c25-18-2-1-3-19(26)22(18)21-13-12-20(30-21)16-6-4-14(5-7-16)15-8-10-17(11-9-15)31-24(29)23(27)28/h1-11,20H,12-13H2/t20-/m1/s1.
What are the key properties of (2R)-5-(2,6-difluorophenyl)-2-[4-[4-(1,2,2-trifluoroethenoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole?
(2R)-5-(2,6-difluorophenyl)-2-[4-[4-(1,2,2-trifluoroethenoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole has a molecular weight of 429.39 g/mol, XLogP of 7.37, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-(2,6-difluorophenyl)-2-[4-[4-(1,2,2-trifluoroethenoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 12009791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).