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

C11H8F3NO2 — CID 19764132

IUPAC3-amino-4-[3-(trifluoromethyl)phenyl]-2H-furan-5-one
SMILESNC1=C(c2cccc(C(F)(F)F)c2)C(=O)OC1
InChIInChI=1S/C11H8F3NO2/c12-11(13,14)7-3-1-2-6(4-7)9-8(15)5-17-10(9)16/h1-4H,5,15H2
InChIKeyCRTFWPKHNPLSAF-UHFFFAOYSA-N
MW243.18 g/mol
LogP1.93
Rot. Bonds1

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

3-amino-4-[3-(trifluoromethyl)phenyl]-2H-furan-5-one (PubChem CID 19764132) has the molecular formula C11H8F3NO2 and a molecular weight of 243.18 g/mol. Its IUPAC name is 3-amino-4-[3-(trifluoromethyl)phenyl]-2H-furan-5-one.

Molecular Properties

Compound Name3-amino-4-[3-(trifluoromethyl)phenyl]-2H-furan-5-one
PubChem CID19764132
Molecular FormulaC11H8F3NO2
Molecular Weight243.18 g/mol
Exact Mass243.05
IUPAC Name3-amino-4-[3-(trifluoromethyl)phenyl]-2H-furan-5-one
SMILESNC1=C(c2cccc(C(F)(F)F)c2)C(=O)OC1
InChIInChI=1S/C11H8F3NO2/c12-11(13,14)7-3-1-2-6(4-7)9-8(15)5-17-10(9)16/h1-4H,5,15H2
InChIKeyCRTFWPKHNPLSAF-UHFFFAOYSA-N
XLogP1.93
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.18
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[3-(trifluoromethyl)phenyl]-2H-furan-5-one?
The IUPAC name of 3-amino-4-[3-(trifluoromethyl)phenyl]-2H-furan-5-one (CID 19764132) is 3-amino-4-[3-(trifluoromethyl)phenyl]-2H-furan-5-one.
What is the SMILES notation for 3-amino-4-[3-(trifluoromethyl)phenyl]-2H-furan-5-one?
The canonical SMILES for 3-amino-4-[3-(trifluoromethyl)phenyl]-2H-furan-5-one is NC1=C(c2cccc(C(F)(F)F)c2)C(=O)OC1.
What is the InChIKey of 3-amino-4-[3-(trifluoromethyl)phenyl]-2H-furan-5-one?
The InChIKey is CRTFWPKHNPLSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NO2/c12-11(13,14)7-3-1-2-6(4-7)9-8(15)5-17-10(9)16/h1-4H,5,15H2.
What are the key properties of 3-amino-4-[3-(trifluoromethyl)phenyl]-2H-furan-5-one?
3-amino-4-[3-(trifluoromethyl)phenyl]-2H-furan-5-one has a molecular weight of 243.18 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[3-(trifluoromethyl)phenyl]-2H-furan-5-one is sourced from PubChem (CID 19764132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).