2-fluoro-3,3,3-triphenylpropanamide

C21H18FNO — CID 141026997

IUPAC2-fluoro-3,3,3-triphenylpropanamide
SMILESNC(=O)C(F)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H18FNO/c22-19(20(23)24)21(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,19H,(H2,23,24)
InChIKeyHCHHOXBWOVFJKR-UHFFFAOYSA-N
MW319.38 g/mol
LogP3.84
Rot. Bonds5

About 2-fluoro-3,3,3-triphenylpropanamide

2-fluoro-3,3,3-triphenylpropanamide (PubChem CID 141026997) has the molecular formula C21H18FNO and a molecular weight of 319.38 g/mol. Its IUPAC name is 2-fluoro-3,3,3-triphenylpropanamide.

Molecular Properties

Compound Name2-fluoro-3,3,3-triphenylpropanamide
PubChem CID141026997
Molecular FormulaC21H18FNO
Molecular Weight319.38 g/mol
Exact Mass319.14
IUPAC Name2-fluoro-3,3,3-triphenylpropanamide
SMILESNC(=O)C(F)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H18FNO/c22-19(20(23)24)21(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,19H,(H2,23,24)
InChIKeyHCHHOXBWOVFJKR-UHFFFAOYSA-N
XLogP3.84
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3,3,3-triphenylpropanamide?
The IUPAC name of 2-fluoro-3,3,3-triphenylpropanamide (CID 141026997) is 2-fluoro-3,3,3-triphenylpropanamide.
What is the SMILES notation for 2-fluoro-3,3,3-triphenylpropanamide?
The canonical SMILES for 2-fluoro-3,3,3-triphenylpropanamide is NC(=O)C(F)C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-fluoro-3,3,3-triphenylpropanamide?
The InChIKey is HCHHOXBWOVFJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FNO/c22-19(20(23)24)21(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,19H,(H2,23,24).
What are the key properties of 2-fluoro-3,3,3-triphenylpropanamide?
2-fluoro-3,3,3-triphenylpropanamide has a molecular weight of 319.38 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3,3,3-triphenylpropanamide is sourced from PubChem (CID 141026997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).