5-amino-2-(1-phenylethyl)-4-[3-(trifluoromethyl)phenyl]furan-3-one

C19H16F3NO2 — CID 70456358

IUPAC5-amino-2-(1-phenylethyl)-4-[3-(trifluoromethyl)phenyl]furan-3-one
SMILESCC(c1ccccc1)C1OC(N)=C(c2cccc(C(F)(F)F)c2)C1=O
InChIInChI=1S/C19H16F3NO2/c1-11(12-6-3-2-4-7-12)17-16(24)15(18(23)25-17)13-8-5-9-14(10-13)19(20,21)22/h2-11,17H,23H2,1H3
InChIKeyQAWFWIUKTBHZLZ-UHFFFAOYSA-N
MW347.34 g/mol
LogP4.10
Rot. Bonds3

About 5-amino-2-(1-phenylethyl)-4-[3-(trifluoromethyl)phenyl]furan-3-one

5-amino-2-(1-phenylethyl)-4-[3-(trifluoromethyl)phenyl]furan-3-one (PubChem CID 70456358) has the molecular formula C19H16F3NO2 and a molecular weight of 347.34 g/mol. Its IUPAC name is 5-amino-2-(1-phenylethyl)-4-[3-(trifluoromethyl)phenyl]furan-3-one.

Molecular Properties

Compound Name5-amino-2-(1-phenylethyl)-4-[3-(trifluoromethyl)phenyl]furan-3-one
PubChem CID70456358
Molecular FormulaC19H16F3NO2
Molecular Weight347.34 g/mol
Exact Mass347.11
IUPAC Name5-amino-2-(1-phenylethyl)-4-[3-(trifluoromethyl)phenyl]furan-3-one
SMILESCC(c1ccccc1)C1OC(N)=C(c2cccc(C(F)(F)F)c2)C1=O
InChIInChI=1S/C19H16F3NO2/c1-11(12-6-3-2-4-7-12)17-16(24)15(18(23)25-17)13-8-5-9-14(10-13)19(20,21)22/h2-11,17H,23H2,1H3
InChIKeyQAWFWIUKTBHZLZ-UHFFFAOYSA-N
XLogP4.10
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(1-phenylethyl)-4-[3-(trifluoromethyl)phenyl]furan-3-one?
The IUPAC name of 5-amino-2-(1-phenylethyl)-4-[3-(trifluoromethyl)phenyl]furan-3-one (CID 70456358) is 5-amino-2-(1-phenylethyl)-4-[3-(trifluoromethyl)phenyl]furan-3-one.
What is the SMILES notation for 5-amino-2-(1-phenylethyl)-4-[3-(trifluoromethyl)phenyl]furan-3-one?
The canonical SMILES for 5-amino-2-(1-phenylethyl)-4-[3-(trifluoromethyl)phenyl]furan-3-one is CC(c1ccccc1)C1OC(N)=C(c2cccc(C(F)(F)F)c2)C1=O.
What is the InChIKey of 5-amino-2-(1-phenylethyl)-4-[3-(trifluoromethyl)phenyl]furan-3-one?
The InChIKey is QAWFWIUKTBHZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3NO2/c1-11(12-6-3-2-4-7-12)17-16(24)15(18(23)25-17)13-8-5-9-14(10-13)19(20,21)22/h2-11,17H,23H2,1H3.
What are the key properties of 5-amino-2-(1-phenylethyl)-4-[3-(trifluoromethyl)phenyl]furan-3-one?
5-amino-2-(1-phenylethyl)-4-[3-(trifluoromethyl)phenyl]furan-3-one has a molecular weight of 347.34 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(1-phenylethyl)-4-[3-(trifluoromethyl)phenyl]furan-3-one is sourced from PubChem (CID 70456358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).