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

C9H12F2N2OS — CID 142682374

IUPAC(2R)-2-[(2,2-difluoro-1-thiophen-2-ylethyl)amino]propanamide
SMILESC[C@@H](NC(c1cccs1)C(F)F)C(N)=O
InChIInChI=1S/C9H12F2N2OS/c1-5(9(12)14)13-7(8(10)11)6-3-2-4-15-6/h2-5,7-8,13H,1H3,(H2,12,14)/t5-,7?/m1/s1
InChIKeyDSLUVSIKBITVNG-FOUAAFFMSA-N
MW234.27 g/mol
LogP1.52
Rot. Bonds5

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

(2R)-2-[(2,2-difluoro-1-thiophen-2-ylethyl)amino]propanamide (PubChem CID 142682374) has the molecular formula C9H12F2N2OS and a molecular weight of 234.27 g/mol. Its IUPAC name is (2R)-2-[(2,2-difluoro-1-thiophen-2-ylethyl)amino]propanamide.

Molecular Properties

Compound Name(2R)-2-[(2,2-difluoro-1-thiophen-2-ylethyl)amino]propanamide
PubChem CID142682374
Molecular FormulaC9H12F2N2OS
Molecular Weight234.27 g/mol
Exact Mass234.06
IUPAC Name(2R)-2-[(2,2-difluoro-1-thiophen-2-ylethyl)amino]propanamide
SMILESC[C@@H](NC(c1cccs1)C(F)F)C(N)=O
InChIInChI=1S/C9H12F2N2OS/c1-5(9(12)14)13-7(8(10)11)6-3-2-4-15-6/h2-5,7-8,13H,1H3,(H2,12,14)/t5-,7?/m1/s1
InChIKeyDSLUVSIKBITVNG-FOUAAFFMSA-N
XLogP1.52
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2,2-difluoro-1-thiophen-2-ylethyl)amino]propanamide?
The IUPAC name of (2R)-2-[(2,2-difluoro-1-thiophen-2-ylethyl)amino]propanamide (CID 142682374) is (2R)-2-[(2,2-difluoro-1-thiophen-2-ylethyl)amino]propanamide.
What is the SMILES notation for (2R)-2-[(2,2-difluoro-1-thiophen-2-ylethyl)amino]propanamide?
The canonical SMILES for (2R)-2-[(2,2-difluoro-1-thiophen-2-ylethyl)amino]propanamide is C[C@@H](NC(c1cccs1)C(F)F)C(N)=O.
What is the InChIKey of (2R)-2-[(2,2-difluoro-1-thiophen-2-ylethyl)amino]propanamide?
The InChIKey is DSLUVSIKBITVNG-FOUAAFFMSA-N. The full InChI is InChI=1S/C9H12F2N2OS/c1-5(9(12)14)13-7(8(10)11)6-3-2-4-15-6/h2-5,7-8,13H,1H3,(H2,12,14)/t5-,7?/m1/s1.
What are the key properties of (2R)-2-[(2,2-difluoro-1-thiophen-2-ylethyl)amino]propanamide?
(2R)-2-[(2,2-difluoro-1-thiophen-2-ylethyl)amino]propanamide has a molecular weight of 234.27 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2,2-difluoro-1-thiophen-2-ylethyl)amino]propanamide is sourced from PubChem (CID 142682374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).