3-thiophen-2-yl-N-(2,2,2-trifluoroethoxy)propanamide

C9H10F3NO2S — CID 81342999

IUPAC3-thiophen-2-yl-N-(2,2,2-trifluoroethoxy)propanamide
SMILESO=C(CCc1cccs1)NOCC(F)(F)F
InChIInChI=1S/C9H10F3NO2S/c10-9(11,12)6-15-13-8(14)4-3-7-2-1-5-16-7/h1-2,5H,3-4,6H2,(H,13,14)
InChIKeyWYABURNQMLYFPN-UHFFFAOYSA-N
MW253.24 g/mol
LogP2.29
Rot. Bonds5

About 3-thiophen-2-yl-N-(2,2,2-trifluoroethoxy)propanamide

3-thiophen-2-yl-N-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 81342999) has the molecular formula C9H10F3NO2S and a molecular weight of 253.24 g/mol. Its IUPAC name is 3-thiophen-2-yl-N-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound Name3-thiophen-2-yl-N-(2,2,2-trifluoroethoxy)propanamide
PubChem CID81342999
Molecular FormulaC9H10F3NO2S
Molecular Weight253.24 g/mol
Exact Mass253.04
IUPAC Name3-thiophen-2-yl-N-(2,2,2-trifluoroethoxy)propanamide
SMILESO=C(CCc1cccs1)NOCC(F)(F)F
InChIInChI=1S/C9H10F3NO2S/c10-9(11,12)6-15-13-8(14)4-3-7-2-1-5-16-7/h1-2,5H,3-4,6H2,(H,13,14)
InChIKeyWYABURNQMLYFPN-UHFFFAOYSA-N
XLogP2.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.24
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-Thiophen-2-ylpropanamide
CID 18174064
(3S)-3-fluoro-N-methoxy-N-methyl-3-thiophen-2-ylpropanamide
CID 154713748
3-(4-chlorothiophen-2-yl)-N-ethoxypropanamide
CID 56792389
2,2-Difluoro-2-(thiophen-2-yl)acetamide
CID 91463324
3-[5-(Trifluoromethyl)thiophen-2-yl]propanamide
CID 173626545
3-[3-(3,3,3-Trifluoropropyl)thiophen-2-yl]propanamide
CID 175816260
2-(4-bromothiophen-2-yl)-N-(2,2,2-trifluoroethoxy)acetamide
CID 52181020
2-(4-bromothiophen-2-yl)-N-(4,4,4-trifluorobutoxy)acetamide
CID 52181043
2-thiophen-2-yl-N-(2,2,2-trifluoroethoxy)acetamide
CID 81340148
4-thiophen-2-yl-N-(2,2,2-trifluoroethoxy)butanamide
CID 81340698
5-ethyl-N-(2,2,2-trifluoroethoxy)thiophene-2-carboxamide
CID 81343236
4-(5-bromothiophen-2-yl)-N-(2,2,2-trifluoroethoxy)butanamide
CID 81343329

Frequently Asked Questions

What is the IUPAC name of 3-thiophen-2-yl-N-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of 3-thiophen-2-yl-N-(2,2,2-trifluoroethoxy)propanamide (CID 81342999) is 3-thiophen-2-yl-N-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for 3-thiophen-2-yl-N-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for 3-thiophen-2-yl-N-(2,2,2-trifluoroethoxy)propanamide is O=C(CCc1cccs1)NOCC(F)(F)F.
What is the InChIKey of 3-thiophen-2-yl-N-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is WYABURNQMLYFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO2S/c10-9(11,12)6-15-13-8(14)4-3-7-2-1-5-16-7/h1-2,5H,3-4,6H2,(H,13,14).
What are the key properties of 3-thiophen-2-yl-N-(2,2,2-trifluoroethoxy)propanamide?
3-thiophen-2-yl-N-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 253.24 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-2-yl-N-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 81342999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).