4-methyl-5-phenyl-2-[5-[2-(trifluoromethyl)phenyl]furan-3-yl]-3H-pyrrole

C22H16F3NO — CID 153263786

IUPAC4-methyl-5-phenyl-2-[5-[2-(trifluoromethyl)phenyl]furan-3-yl]-3H-pyrrole
SMILESCC1=C(c2ccccc2)N=C(c2coc(-c3ccccc3C(F)(F)F)c2)C1
InChIInChI=1S/C22H16F3NO/c1-14-11-19(26-21(14)15-7-3-2-4-8-15)16-12-20(27-13-16)17-9-5-6-10-18(17)22(23,24)25/h2-10,12-13H,11H2,1H3
InChIKeyWVTMIBFBNXMFKM-UHFFFAOYSA-N
MW367.37 g/mol
LogP6.59
Rot. Bonds3

About 4-methyl-5-phenyl-2-[5-[2-(trifluoromethyl)phenyl]furan-3-yl]-3H-pyrrole

4-methyl-5-phenyl-2-[5-[2-(trifluoromethyl)phenyl]furan-3-yl]-3H-pyrrole (PubChem CID 153263786) has the molecular formula C22H16F3NO and a molecular weight of 367.37 g/mol. Its IUPAC name is 4-methyl-5-phenyl-2-[5-[2-(trifluoromethyl)phenyl]furan-3-yl]-3H-pyrrole.

Molecular Properties

Compound Name4-methyl-5-phenyl-2-[5-[2-(trifluoromethyl)phenyl]furan-3-yl]-3H-pyrrole
PubChem CID153263786
Molecular FormulaC22H16F3NO
Molecular Weight367.37 g/mol
Exact Mass367.12
IUPAC Name4-methyl-5-phenyl-2-[5-[2-(trifluoromethyl)phenyl]furan-3-yl]-3H-pyrrole
SMILESCC1=C(c2ccccc2)N=C(c2coc(-c3ccccc3C(F)(F)F)c2)C1
InChIInChI=1S/C22H16F3NO/c1-14-11-19(26-21(14)15-7-3-2-4-8-15)16-12-20(27-13-16)17-9-5-6-10-18(17)22(23,24)25/h2-10,12-13H,11H2,1H3
InChIKeyWVTMIBFBNXMFKM-UHFFFAOYSA-N
XLogP6.59
TPSA25.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.37
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-phenyl-2-[5-[2-(trifluoromethyl)phenyl]furan-3-yl]-3H-pyrrole?
The IUPAC name of 4-methyl-5-phenyl-2-[5-[2-(trifluoromethyl)phenyl]furan-3-yl]-3H-pyrrole (CID 153263786) is 4-methyl-5-phenyl-2-[5-[2-(trifluoromethyl)phenyl]furan-3-yl]-3H-pyrrole.
What is the SMILES notation for 4-methyl-5-phenyl-2-[5-[2-(trifluoromethyl)phenyl]furan-3-yl]-3H-pyrrole?
The canonical SMILES for 4-methyl-5-phenyl-2-[5-[2-(trifluoromethyl)phenyl]furan-3-yl]-3H-pyrrole is CC1=C(c2ccccc2)N=C(c2coc(-c3ccccc3C(F)(F)F)c2)C1.
What is the InChIKey of 4-methyl-5-phenyl-2-[5-[2-(trifluoromethyl)phenyl]furan-3-yl]-3H-pyrrole?
The InChIKey is WVTMIBFBNXMFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3NO/c1-14-11-19(26-21(14)15-7-3-2-4-8-15)16-12-20(27-13-16)17-9-5-6-10-18(17)22(23,24)25/h2-10,12-13H,11H2,1H3.
What are the key properties of 4-methyl-5-phenyl-2-[5-[2-(trifluoromethyl)phenyl]furan-3-yl]-3H-pyrrole?
4-methyl-5-phenyl-2-[5-[2-(trifluoromethyl)phenyl]furan-3-yl]-3H-pyrrole has a molecular weight of 367.37 g/mol, XLogP of 6.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-phenyl-2-[5-[2-(trifluoromethyl)phenyl]furan-3-yl]-3H-pyrrole is sourced from PubChem (CID 153263786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).