(E)-3-thiophen-2-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)prop-2-enamide

C10H10F3NO2S — CID 103730644

IUPAC(E)-3-thiophen-2-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)prop-2-enamide
SMILESO=C(/C=C/c1cccs1)NCC(O)C(F)(F)F
InChIInChI=1S/C10H10F3NO2S/c11-10(12,13)8(15)6-14-9(16)4-3-7-2-1-5-17-7/h1-5,8,15H,6H2,(H,14,16)/b4-3+
InChIKeyRIGTWHUWDDGJJQ-ONEGZZNKSA-N
MW265.26 g/mol
LogP1.80
Rot. Bonds4

About (E)-3-thiophen-2-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)prop-2-enamide

(E)-3-thiophen-2-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)prop-2-enamide (PubChem CID 103730644) has the molecular formula C10H10F3NO2S and a molecular weight of 265.26 g/mol. Its IUPAC name is (E)-3-thiophen-2-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-thiophen-2-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)prop-2-enamide
PubChem CID103730644
Molecular FormulaC10H10F3NO2S
Molecular Weight265.26 g/mol
Exact Mass265.04
IUPAC Name(E)-3-thiophen-2-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)prop-2-enamide
SMILESO=C(/C=C/c1cccs1)NCC(O)C(F)(F)F
InChIInChI=1S/C10H10F3NO2S/c11-10(12,13)8(15)6-14-9(16)4-3-7-2-1-5-17-7/h1-5,8,15H,6H2,(H,14,16)/b4-3+
InChIKeyRIGTWHUWDDGJJQ-ONEGZZNKSA-N
XLogP1.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-thiophen-2-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)prop-2-enamide?
The IUPAC name of (E)-3-thiophen-2-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)prop-2-enamide (CID 103730644) is (E)-3-thiophen-2-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)prop-2-enamide.
What is the SMILES notation for (E)-3-thiophen-2-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)prop-2-enamide?
The canonical SMILES for (E)-3-thiophen-2-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)prop-2-enamide is O=C(/C=C/c1cccs1)NCC(O)C(F)(F)F.
What is the InChIKey of (E)-3-thiophen-2-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)prop-2-enamide?
The InChIKey is RIGTWHUWDDGJJQ-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H10F3NO2S/c11-10(12,13)8(15)6-14-9(16)4-3-7-2-1-5-17-7/h1-5,8,15H,6H2,(H,14,16)/b4-3+.
What are the key properties of (E)-3-thiophen-2-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)prop-2-enamide?
(E)-3-thiophen-2-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)prop-2-enamide has a molecular weight of 265.26 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-thiophen-2-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)prop-2-enamide is sourced from PubChem (CID 103730644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).