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

C18H14F3NO3 — CID 174863229

IUPAC5-amino-2-(hydroxymethyl)-2-phenyl-4-[3-(trifluoromethyl)phenyl]furan-3-one
SMILESNC1=C(c2cccc(C(F)(F)F)c2)C(=O)C(CO)(c2ccccc2)O1
InChIInChI=1S/C18H14F3NO3/c19-18(20,21)13-8-4-5-11(9-13)14-15(24)17(10-23,25-16(14)22)12-6-2-1-3-7-12/h1-9,23H,10,22H2
InChIKeyLEEPTYSTYHAVLE-UHFFFAOYSA-N
MW349.31 g/mol
LogP2.82
Rot. Bonds3

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

5-amino-2-(hydroxymethyl)-2-phenyl-4-[3-(trifluoromethyl)phenyl]furan-3-one (PubChem CID 174863229) has the molecular formula C18H14F3NO3 and a molecular weight of 349.31 g/mol. Its IUPAC name is 5-amino-2-(hydroxymethyl)-2-phenyl-4-[3-(trifluoromethyl)phenyl]furan-3-one.

Molecular Properties

Compound Name5-amino-2-(hydroxymethyl)-2-phenyl-4-[3-(trifluoromethyl)phenyl]furan-3-one
PubChem CID174863229
Molecular FormulaC18H14F3NO3
Molecular Weight349.31 g/mol
Exact Mass349.09
IUPAC Name5-amino-2-(hydroxymethyl)-2-phenyl-4-[3-(trifluoromethyl)phenyl]furan-3-one
SMILESNC1=C(c2cccc(C(F)(F)F)c2)C(=O)C(CO)(c2ccccc2)O1
InChIInChI=1S/C18H14F3NO3/c19-18(20,21)13-8-4-5-11(9-13)14-15(24)17(10-23,25-16(14)22)12-6-2-1-3-7-12/h1-9,23H,10,22H2
InChIKeyLEEPTYSTYHAVLE-UHFFFAOYSA-N
XLogP2.82
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.31
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-amino-2-(hydroxymethyl)-2-phenyl-4-[3-(trifluoromethyl)phenyl]furan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-2-(1-phenylethyl)-4-[3-(trifluoromethyl)phenyl]furan-3-one
CID 70456358
3-amino-5-(fluoromethyl)-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one
CID 22153066
methyl 2-[5-amino-5-ethyl-4-oxo-3-[3-(trifluoromethyl)phenyl]furan-2-yl]acetate
CID 151304625
[3-amino-5-[3-(trifluoromethyl)phenyl]phenyl]methanol
CID 146020152
[4-[5,5-dimethyl-4-oxo-3-[3-(trifluoromethyl)phenyl]furan-2-yl]phenyl]methanesulfinic acid
CID 174373860
2-[3-amino-2-[3-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid
CID 134623990
2-[2-amino-3-[3-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid
CID 119001070
4-[3-(trifluoromethyl)phenyl]aniline
CID 2760739
bis[3-phenyl-3-[3-(trifluoromethyl)phenyl]oxiran-2-yl]methanone
CID 57209775
3-[3-[3-(trifluoromethyl)phenyl]phenyl]propan-1-ol
CID 170887677
phenyl-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone
CID 132564507
aniline;3-(trifluoromethyl)aniline
CID 160634583

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(hydroxymethyl)-2-phenyl-4-[3-(trifluoromethyl)phenyl]furan-3-one?
The IUPAC name of 5-amino-2-(hydroxymethyl)-2-phenyl-4-[3-(trifluoromethyl)phenyl]furan-3-one (CID 174863229) is 5-amino-2-(hydroxymethyl)-2-phenyl-4-[3-(trifluoromethyl)phenyl]furan-3-one.
What is the SMILES notation for 5-amino-2-(hydroxymethyl)-2-phenyl-4-[3-(trifluoromethyl)phenyl]furan-3-one?
The canonical SMILES for 5-amino-2-(hydroxymethyl)-2-phenyl-4-[3-(trifluoromethyl)phenyl]furan-3-one is NC1=C(c2cccc(C(F)(F)F)c2)C(=O)C(CO)(c2ccccc2)O1.
What is the InChIKey of 5-amino-2-(hydroxymethyl)-2-phenyl-4-[3-(trifluoromethyl)phenyl]furan-3-one?
The InChIKey is LEEPTYSTYHAVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3NO3/c19-18(20,21)13-8-4-5-11(9-13)14-15(24)17(10-23,25-16(14)22)12-6-2-1-3-7-12/h1-9,23H,10,22H2.
What are the key properties of 5-amino-2-(hydroxymethyl)-2-phenyl-4-[3-(trifluoromethyl)phenyl]furan-3-one?
5-amino-2-(hydroxymethyl)-2-phenyl-4-[3-(trifluoromethyl)phenyl]furan-3-one has a molecular weight of 349.31 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(hydroxymethyl)-2-phenyl-4-[3-(trifluoromethyl)phenyl]furan-3-one is sourced from PubChem (CID 174863229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).