(2R)-2-[(2,2,2-trifluoro-1-thiophen-2-ylethyl)amino]propanamide

C9H11F3N2OS — CID 150817803

IUPAC(2R)-2-[(2,2,2-trifluoro-1-thiophen-2-ylethyl)amino]propanamide
SMILESC[C@@H](NC(c1cccs1)C(F)(F)F)C(N)=O
InChIInChI=1S/C9H11F3N2OS/c1-5(8(13)15)14-7(9(10,11)12)6-3-2-4-16-6/h2-5,7,14H,1H3,(H2,13,15)/t5-,7?/m1/s1
InChIKeyKJGLHKYNAPYLFE-FOUAAFFMSA-N
MW252.26 g/mol
LogP1.81
Rot. Bonds4

About (2R)-2-[(2,2,2-trifluoro-1-thiophen-2-ylethyl)amino]propanamide

(2R)-2-[(2,2,2-trifluoro-1-thiophen-2-ylethyl)amino]propanamide (PubChem CID 150817803) has the molecular formula C9H11F3N2OS and a molecular weight of 252.26 g/mol. Its IUPAC name is (2R)-2-[(2,2,2-trifluoro-1-thiophen-2-ylethyl)amino]propanamide.

Molecular Properties

Compound Name(2R)-2-[(2,2,2-trifluoro-1-thiophen-2-ylethyl)amino]propanamide
PubChem CID150817803
Molecular FormulaC9H11F3N2OS
Molecular Weight252.26 g/mol
Exact Mass252.05
IUPAC Name(2R)-2-[(2,2,2-trifluoro-1-thiophen-2-ylethyl)amino]propanamide
SMILESC[C@@H](NC(c1cccs1)C(F)(F)F)C(N)=O
InChIInChI=1S/C9H11F3N2OS/c1-5(8(13)15)14-7(9(10,11)12)6-3-2-4-16-6/h2-5,7,14H,1H3,(H2,13,15)/t5-,7?/m1/s1
InChIKeyKJGLHKYNAPYLFE-FOUAAFFMSA-N
XLogP1.81
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,2-dithiophen-2-ylethylamino)propanamide
CID 43777142
2-[[2,2,2-trifluoro-1-[4-(4-methylsulfanylphenyl)phenyl]ethyl]amino]propanamide
CID 69205043
(2R)-2-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]propanamide
CID 9136299
N-[(2R)-1-amino-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 130174839
(2R)-3-benzylsulfanyl-2-[[(1S)-2,2,2-trifluoro-1-thiophen-2-ylethyl]amino]propanoic acid
CID 68862874
2-[(2-methyl-1-thiophen-2-ylpropyl)amino]butanamide
CID 62900414
tert-butyl 2-(1-thiophen-2-ylethylamino)propanoate
CID 64686931
methyl 2-thiophen-2-ylpropanoate
CID 12819459
2-[[(1R)-1-thiophen-2-ylethyl]carbamoylamino]propanediamide
CID 36974814
2-iodo-2-thiophen-2-ylacetamide
CID 66740112
2-(carbamoylamino)-2-thiophen-2-ylacetamide
CID 54396307
N-methyl-2-[[(1S)-1-thiophen-2-ylethyl]amino]propanamide
CID 81408171

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2,2,2-trifluoro-1-thiophen-2-ylethyl)amino]propanamide?
The IUPAC name of (2R)-2-[(2,2,2-trifluoro-1-thiophen-2-ylethyl)amino]propanamide (CID 150817803) is (2R)-2-[(2,2,2-trifluoro-1-thiophen-2-ylethyl)amino]propanamide.
What is the SMILES notation for (2R)-2-[(2,2,2-trifluoro-1-thiophen-2-ylethyl)amino]propanamide?
The canonical SMILES for (2R)-2-[(2,2,2-trifluoro-1-thiophen-2-ylethyl)amino]propanamide is C[C@@H](NC(c1cccs1)C(F)(F)F)C(N)=O.
What is the InChIKey of (2R)-2-[(2,2,2-trifluoro-1-thiophen-2-ylethyl)amino]propanamide?
The InChIKey is KJGLHKYNAPYLFE-FOUAAFFMSA-N. The full InChI is InChI=1S/C9H11F3N2OS/c1-5(8(13)15)14-7(9(10,11)12)6-3-2-4-16-6/h2-5,7,14H,1H3,(H2,13,15)/t5-,7?/m1/s1.
What are the key properties of (2R)-2-[(2,2,2-trifluoro-1-thiophen-2-ylethyl)amino]propanamide?
(2R)-2-[(2,2,2-trifluoro-1-thiophen-2-ylethyl)amino]propanamide has a molecular weight of 252.26 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2,2,2-trifluoro-1-thiophen-2-ylethyl)amino]propanamide is sourced from PubChem (CID 150817803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).