5-(5-methylfuran-2-yl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole

C22H18F3NO2 — CID 21350357

IUPAC5-(5-methylfuran-2-yl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole
SMILESCc1ccc(C2=NC(c3ccc(-c4ccc(OC(F)(F)F)cc4)cc3)CC2)o1
InChIInChI=1S/C22H18F3NO2/c1-14-2-13-21(27-14)20-12-11-19(26-20)17-5-3-15(4-6-17)16-7-9-18(10-8-16)28-22(23,24)25/h2-10,13,19H,11-12H2,1H3
InChIKeyZEIJHBIFXXVOPU-UHFFFAOYSA-N
MW385.39 g/mol
LogP6.48
Rot. Bonds4

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

5-(5-methylfuran-2-yl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole (PubChem CID 21350357) has the molecular formula C22H18F3NO2 and a molecular weight of 385.39 g/mol. Its IUPAC name is 5-(5-methylfuran-2-yl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name5-(5-methylfuran-2-yl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole
PubChem CID21350357
Molecular FormulaC22H18F3NO2
Molecular Weight385.39 g/mol
Exact Mass385.13
IUPAC Name5-(5-methylfuran-2-yl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole
SMILESCc1ccc(C2=NC(c3ccc(-c4ccc(OC(F)(F)F)cc4)cc3)CC2)o1
InChIInChI=1S/C22H18F3NO2/c1-14-2-13-21(27-14)20-12-11-19(26-20)17-5-3-15(4-6-17)16-7-9-18(10-8-16)28-22(23,24)25/h2-10,13,19H,11-12H2,1H3
InChIKeyZEIJHBIFXXVOPU-UHFFFAOYSA-N
XLogP6.48
TPSA34.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.39
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(furan-2-yl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole
CID 21350324
5-(furan-3-yl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole
CID 21350336
N-(furan-2-ylmethyl)-1-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanimine
CID 23343773
2,2,2-trifluoro-1-(5-methylfuran-2-yl)-N-[(1R)-1-phenylethyl]ethanimine
CID 58736185
1-phenyl-N-[(1S)-2,2,2-trifluoro-1-(5-methylfuran-2-yl)ethyl]ethanimine
CID 58736678
2-(1-benzofuran-2-yl)-5-chloro-3-(trifluoromethyl)-2H-indole
CID 68961397
2-(2,6-Difluorophenyl)-4-[4-(furan-2-yl)phenyl]-4,5-dihydro-1,3-oxazole
CID 141805981
2-(furan-2-yl)-5-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole
CID 142649868
1-phenyl-N-[(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]ethanimine;propane
CID 143076602
4-methyl-5-phenyl-2-[5-[2-(trifluoromethyl)phenyl]furan-3-yl]-3H-pyrrole
CID 153263786
methyl 4-[(2R)-3-(furan-2-yl)-2-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]-2H-pyrrol-5-yl]benzoate
CID 156727743
[4-(1,1-difluoroethoxy)phenyl]-[5-[(E)-2-phenylethenyl]-2H-pyrrol-2-yl]methanone
CID 163927188

Frequently Asked Questions

What is the IUPAC name of 5-(5-methylfuran-2-yl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole?
The IUPAC name of 5-(5-methylfuran-2-yl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole (CID 21350357) is 5-(5-methylfuran-2-yl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 5-(5-methylfuran-2-yl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 5-(5-methylfuran-2-yl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole is Cc1ccc(C2=NC(c3ccc(-c4ccc(OC(F)(F)F)cc4)cc3)CC2)o1.
What is the InChIKey of 5-(5-methylfuran-2-yl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole?
The InChIKey is ZEIJHBIFXXVOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3NO2/c1-14-2-13-21(27-14)20-12-11-19(26-20)17-5-3-15(4-6-17)16-7-9-18(10-8-16)28-22(23,24)25/h2-10,13,19H,11-12H2,1H3.
What are the key properties of 5-(5-methylfuran-2-yl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole?
5-(5-methylfuran-2-yl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole has a molecular weight of 385.39 g/mol, XLogP of 6.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methylfuran-2-yl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 21350357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).