N-[cyano(thiophen-3-yl)methyl]-3,3,3-trifluoropropanamide

C9H7F3N2OS — CID 84583607

IUPACN-[cyano(thiophen-3-yl)methyl]-3,3,3-trifluoropropanamide
SMILESN#CC(NC(=O)CC(F)(F)F)c1ccsc1
InChIInChI=1S/C9H7F3N2OS/c10-9(11,12)3-8(15)14-7(4-13)6-1-2-16-5-6/h1-2,5,7H,3H2,(H,14,15)
InChIKeyIMGAGWGIHDXUGQ-UHFFFAOYSA-N
MW248.23 g/mol
LogP2.38
Rot. Bonds3

About N-[cyano(thiophen-3-yl)methyl]-3,3,3-trifluoropropanamide

N-[cyano(thiophen-3-yl)methyl]-3,3,3-trifluoropropanamide (PubChem CID 84583607) has the molecular formula C9H7F3N2OS and a molecular weight of 248.23 g/mol. Its IUPAC name is N-[cyano(thiophen-3-yl)methyl]-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-[cyano(thiophen-3-yl)methyl]-3,3,3-trifluoropropanamide
PubChem CID84583607
Molecular FormulaC9H7F3N2OS
Molecular Weight248.23 g/mol
Exact Mass248.02
IUPAC NameN-[cyano(thiophen-3-yl)methyl]-3,3,3-trifluoropropanamide
SMILESN#CC(NC(=O)CC(F)(F)F)c1ccsc1
InChIInChI=1S/C9H7F3N2OS/c10-9(11,12)3-8(15)14-7(4-13)6-1-2-16-5-6/h1-2,5,7H,3H2,(H,14,15)
InChIKeyIMGAGWGIHDXUGQ-UHFFFAOYSA-N
XLogP2.38
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)-2-(thiophen-3-yl)ethyl]-2-methylpropanamide
CID 16931186
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]propanamide
CID 16931185
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]acetamide
CID 51077450
2,2,2aTrifluoroaNa[1a(thiophena3ayl)propana2ayl]acetamide
CID 62726736
2,2,3,3,3-pentafluoro-N-(1-thiophen-3-ylpropan-2-yl)propanamide
CID 108095227
N-[(1S)-1-thiophen-3-ylethyl]acetamide
CID 101866014
3,3,3-trifluoro-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 45810573
3,3,3-trifluoro-N-(2-thiophen-3-ylethyl)propanamide
CID 45812506
N-[2-(diethylamino)-2-thiophen-3-ylethyl]-3,3,3-trifluoropropanamide
CID 51081003
2-Thiophen-3-yl-2-(2,2,2-trifluoroethylamino)acetamide
CID 60997938
2-Thiophen-3-yl-2-(2,2,2-trifluoroethylamino)acetonitrile
CID 60998404
2,2,2-trifluoro-N-(2-thiophen-3-ylethyl)acetamide
CID 62726521

Frequently Asked Questions

What is the IUPAC name of N-[cyano(thiophen-3-yl)methyl]-3,3,3-trifluoropropanamide?
The IUPAC name of N-[cyano(thiophen-3-yl)methyl]-3,3,3-trifluoropropanamide (CID 84583607) is N-[cyano(thiophen-3-yl)methyl]-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-[cyano(thiophen-3-yl)methyl]-3,3,3-trifluoropropanamide?
The canonical SMILES for N-[cyano(thiophen-3-yl)methyl]-3,3,3-trifluoropropanamide is N#CC(NC(=O)CC(F)(F)F)c1ccsc1.
What is the InChIKey of N-[cyano(thiophen-3-yl)methyl]-3,3,3-trifluoropropanamide?
The InChIKey is IMGAGWGIHDXUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2OS/c10-9(11,12)3-8(15)14-7(4-13)6-1-2-16-5-6/h1-2,5,7H,3H2,(H,14,15).
What are the key properties of N-[cyano(thiophen-3-yl)methyl]-3,3,3-trifluoropropanamide?
N-[cyano(thiophen-3-yl)methyl]-3,3,3-trifluoropropanamide has a molecular weight of 248.23 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano(thiophen-3-yl)methyl]-3,3,3-trifluoropropanamide is sourced from PubChem (CID 84583607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).