5-(2,6-difluorophenyl)-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-3,4-dihydro-2H-pyrrole

C24H18F5NO — CID 58915296

IUPAC5-(2,6-difluorophenyl)-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-3,4-dihydro-2H-pyrrole
SMILESFc1cccc(F)c1C1=NC(c2ccc(OCc3ccc(C(F)(F)F)cc3)cc2)CC1
InChIInChI=1S/C24H18F5NO/c25-19-2-1-3-20(26)23(19)22-13-12-21(30-22)16-6-10-18(11-7-16)31-14-15-4-8-17(9-5-15)24(27,28)29/h1-11,21H,12-14H2
InChIKeyZZRJATYKJDUVSL-UHFFFAOYSA-N
MW431.40 g/mol
LogP6.89
Rot. Bonds5

About 5-(2,6-difluorophenyl)-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-3,4-dihydro-2H-pyrrole

5-(2,6-difluorophenyl)-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-3,4-dihydro-2H-pyrrole (PubChem CID 58915296) has the molecular formula C24H18F5NO and a molecular weight of 431.40 g/mol. Its IUPAC name is 5-(2,6-difluorophenyl)-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name5-(2,6-difluorophenyl)-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-3,4-dihydro-2H-pyrrole
PubChem CID58915296
Molecular FormulaC24H18F5NO
Molecular Weight431.40 g/mol
Exact Mass431.13
IUPAC Name5-(2,6-difluorophenyl)-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-3,4-dihydro-2H-pyrrole
SMILESFc1cccc(F)c1C1=NC(c2ccc(OCc3ccc(C(F)(F)F)cc3)cc2)CC1
InChIInChI=1S/C24H18F5NO/c25-19-2-1-3-20(26)23(19)22-13-12-21(30-22)16-6-10-18(11-7-16)31-14-15-4-8-17(9-5-15)24(27,28)29/h1-11,21H,12-14H2
InChIKeyZZRJATYKJDUVSL-UHFFFAOYSA-N
XLogP6.89
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.40
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2,6-difluorophenyl)-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-3,4-dihydro-2H-pyrrole?
The IUPAC name of 5-(2,6-difluorophenyl)-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-3,4-dihydro-2H-pyrrole (CID 58915296) is 5-(2,6-difluorophenyl)-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 5-(2,6-difluorophenyl)-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 5-(2,6-difluorophenyl)-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-3,4-dihydro-2H-pyrrole is Fc1cccc(F)c1C1=NC(c2ccc(OCc3ccc(C(F)(F)F)cc3)cc2)CC1.
What is the InChIKey of 5-(2,6-difluorophenyl)-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-3,4-dihydro-2H-pyrrole?
The InChIKey is ZZRJATYKJDUVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F5NO/c25-19-2-1-3-20(26)23(19)22-13-12-21(30-22)16-6-10-18(11-7-16)31-14-15-4-8-17(9-5-15)24(27,28)29/h1-11,21H,12-14H2.
What are the key properties of 5-(2,6-difluorophenyl)-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-3,4-dihydro-2H-pyrrole?
5-(2,6-difluorophenyl)-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-3,4-dihydro-2H-pyrrole has a molecular weight of 431.40 g/mol, XLogP of 6.89, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-difluorophenyl)-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 58915296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).