2-(3-fluorophenyl)-2-(2,2,2-trifluoroethylamino)propanamide

C11H12F4N2O — CID 54892842

IUPAC2-(3-fluorophenyl)-2-(2,2,2-trifluoroethylamino)propanamide
SMILESCC(NCC(F)(F)F)(C(N)=O)c1cccc(F)c1
InChIInChI=1S/C11H12F4N2O/c1-10(9(16)18,17-6-11(13,14)15)7-3-2-4-8(12)5-7/h2-5,17H,6H2,1H3,(H2,16,18)
InChIKeyPSWVZEPLNIIVHE-UHFFFAOYSA-N
MW264.22 g/mol
LogP1.68
Rot. Bonds4

About 2-(3-fluorophenyl)-2-(2,2,2-trifluoroethylamino)propanamide

2-(3-fluorophenyl)-2-(2,2,2-trifluoroethylamino)propanamide (PubChem CID 54892842) has the molecular formula C11H12F4N2O and a molecular weight of 264.22 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-2-(2,2,2-trifluoroethylamino)propanamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-2-(2,2,2-trifluoroethylamino)propanamide
PubChem CID54892842
Molecular FormulaC11H12F4N2O
Molecular Weight264.22 g/mol
Exact Mass264.09
IUPAC Name2-(3-fluorophenyl)-2-(2,2,2-trifluoroethylamino)propanamide
SMILESCC(NCC(F)(F)F)(C(N)=O)c1cccc(F)c1
InChIInChI=1S/C11H12F4N2O/c1-10(9(16)18,17-6-11(13,14)15)7-3-2-4-8(12)5-7/h2-5,17H,6H2,1H3,(H2,16,18)
InChIKeyPSWVZEPLNIIVHE-UHFFFAOYSA-N
XLogP1.68
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.22
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluorophenyl)-2-(thiophen-2-ylmethylamino)propanamide
CID 54889525
2-(4-chloroanilino)-2-(3-fluorophenyl)propanamide
CID 60991447
2-(4-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)propanamide
CID 54892605
[2-(3-fluorophenyl)-2-methylpropyl]urea
CID 115168840
2-(3-fluorophenyl)-2-hydroxypropanamide
CID 62213418
2-(propylamino)-2-[3-(trifluoromethyl)phenyl]propanamide
CID 60796923
methyl 2-(3-fluorophenyl)-2-hydrazinylpropanoate
CID 146310495
methyl 2-(ethylamino)-2-(3-fluorophenyl)propanoate
CID 60788040
(2S)-2-(3-fluorophenyl)-2-(methylamino)propanoic acid
CID 93279972
2-(3-fluorophenyl)-2-(methylamino)butanamide
CID 114871926
3-(4-fluorophenyl)-2-methyl-2-(2,2,2-trifluoroethylamino)propanamide
CID 114831963
2-(3-fluorophenyl)-2-(2-hydroxypropylamino)propanoic acid
CID 114991216

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-2-(2,2,2-trifluoroethylamino)propanamide?
The IUPAC name of 2-(3-fluorophenyl)-2-(2,2,2-trifluoroethylamino)propanamide (CID 54892842) is 2-(3-fluorophenyl)-2-(2,2,2-trifluoroethylamino)propanamide.
What is the SMILES notation for 2-(3-fluorophenyl)-2-(2,2,2-trifluoroethylamino)propanamide?
The canonical SMILES for 2-(3-fluorophenyl)-2-(2,2,2-trifluoroethylamino)propanamide is CC(NCC(F)(F)F)(C(N)=O)c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-2-(2,2,2-trifluoroethylamino)propanamide?
The InChIKey is PSWVZEPLNIIVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F4N2O/c1-10(9(16)18,17-6-11(13,14)15)7-3-2-4-8(12)5-7/h2-5,17H,6H2,1H3,(H2,16,18).
What are the key properties of 2-(3-fluorophenyl)-2-(2,2,2-trifluoroethylamino)propanamide?
2-(3-fluorophenyl)-2-(2,2,2-trifluoroethylamino)propanamide has a molecular weight of 264.22 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-2-(2,2,2-trifluoroethylamino)propanamide is sourced from PubChem (CID 54892842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).