3-amino-N-[4-(2,2,2-trifluoroethoxy)phenyl]butanamide

C12H15F3N2O2 — CID 60837802

IUPAC3-amino-N-[4-(2,2,2-trifluoroethoxy)phenyl]butanamide
SMILESCC(N)CC(=O)Nc1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C12H15F3N2O2/c1-8(16)6-11(18)17-9-2-4-10(5-3-9)19-7-12(13,14)15/h2-5,8H,6-7,16H2,1H3,(H,17,18)
InChIKeyVRGXVRNVGIICQI-UHFFFAOYSA-N
MW276.26 g/mol
LogP2.30
Rot. Bonds5

About 3-amino-N-[4-(2,2,2-trifluoroethoxy)phenyl]butanamide

3-amino-N-[4-(2,2,2-trifluoroethoxy)phenyl]butanamide (PubChem CID 60837802) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is 3-amino-N-[4-(2,2,2-trifluoroethoxy)phenyl]butanamide.

Molecular Properties

Compound Name3-amino-N-[4-(2,2,2-trifluoroethoxy)phenyl]butanamide
PubChem CID60837802
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC Name3-amino-N-[4-(2,2,2-trifluoroethoxy)phenyl]butanamide
SMILESCC(N)CC(=O)Nc1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C12H15F3N2O2/c1-8(16)6-11(18)17-9-2-4-10(5-3-9)19-7-12(13,14)15/h2-5,8H,6-7,16H2,1H3,(H,17,18)
InChIKeyVRGXVRNVGIICQI-UHFFFAOYSA-N
XLogP2.30
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[4-(4-ethoxyphenoxy)phenyl]butanamide
CID 119680037
3-amino-N-[4-(cyanomethoxy)phenyl]butanamide
CID 61248145
3-amino-N-[4-(3-amino-3-oxopropoxy)phenyl]butanamide;hydrochloride
CID 119733597
3-piperidin-4-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]butanamide;hydrochloride
CID 119698638
2-(4-acetamidophenyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 134010386
ethyl N-[4-(2,2,2-trifluoroethoxy)phenyl]carbamate
CID 60705257
2-methyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]pentanamide
CID 134026710
2-(2-methoxyethoxy)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 103606770
(2S)-2-amino-N-[4-(2,2,2-trifluoroethoxy)phenyl]hexanamide
CID 103831151
N-[4-(3-aminobutanoylamino)phenyl]-2,2-dimethylpropanamide
CID 61254421
N-[4-(2-methylpropanoylamino)phenyl]-4-(2,2,2-trifluoroethoxy)benzamide
CID 55606042
4-amino-N-[3-(2,2,2-trifluoroethoxy)phenyl]pentanamide
CID 120560452

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(2,2,2-trifluoroethoxy)phenyl]butanamide?
The IUPAC name of 3-amino-N-[4-(2,2,2-trifluoroethoxy)phenyl]butanamide (CID 60837802) is 3-amino-N-[4-(2,2,2-trifluoroethoxy)phenyl]butanamide.
What is the SMILES notation for 3-amino-N-[4-(2,2,2-trifluoroethoxy)phenyl]butanamide?
The canonical SMILES for 3-amino-N-[4-(2,2,2-trifluoroethoxy)phenyl]butanamide is CC(N)CC(=O)Nc1ccc(OCC(F)(F)F)cc1.
What is the InChIKey of 3-amino-N-[4-(2,2,2-trifluoroethoxy)phenyl]butanamide?
The InChIKey is VRGXVRNVGIICQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2/c1-8(16)6-11(18)17-9-2-4-10(5-3-9)19-7-12(13,14)15/h2-5,8H,6-7,16H2,1H3,(H,17,18).
What are the key properties of 3-amino-N-[4-(2,2,2-trifluoroethoxy)phenyl]butanamide?
3-amino-N-[4-(2,2,2-trifluoroethoxy)phenyl]butanamide has a molecular weight of 276.26 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(2,2,2-trifluoroethoxy)phenyl]butanamide is sourced from PubChem (CID 60837802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).