(E)-3-(5-methylthiophen-2-yl)-N-(2,2,2-trifluoroethoxy)prop-2-enamide

C10H10F3NO2S — CID 81343086

IUPAC(E)-3-(5-methylthiophen-2-yl)-N-(2,2,2-trifluoroethoxy)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)NOCC(F)(F)F)s1
InChIInChI=1S/C10H10F3NO2S/c1-7-2-3-8(17-7)4-5-9(15)14-16-6-10(11,12)13/h2-5H,6H2,1H3,(H,14,15)/b5-4+
InChIKeyDHGDKTYWTWVISF-SNAWJCMRSA-N
MW265.26 g/mol
LogP2.68
Rot. Bonds4

About (E)-3-(5-methylthiophen-2-yl)-N-(2,2,2-trifluoroethoxy)prop-2-enamide

(E)-3-(5-methylthiophen-2-yl)-N-(2,2,2-trifluoroethoxy)prop-2-enamide (PubChem CID 81343086) has the molecular formula C10H10F3NO2S and a molecular weight of 265.26 g/mol. Its IUPAC name is (E)-3-(5-methylthiophen-2-yl)-N-(2,2,2-trifluoroethoxy)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(5-methylthiophen-2-yl)-N-(2,2,2-trifluoroethoxy)prop-2-enamide
PubChem CID81343086
Molecular FormulaC10H10F3NO2S
Molecular Weight265.26 g/mol
Exact Mass265.04
IUPAC Name(E)-3-(5-methylthiophen-2-yl)-N-(2,2,2-trifluoroethoxy)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)NOCC(F)(F)F)s1
InChIInChI=1S/C10H10F3NO2S/c1-7-2-3-8(17-7)4-5-9(15)14-16-6-10(11,12)13/h2-5H,6H2,1H3,(H,14,15)/b5-4+
InChIKeyDHGDKTYWTWVISF-SNAWJCMRSA-N
XLogP2.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-methylthiophen-2-yl)-N-(2,2,2-trifluoroethoxy)prop-2-enamide?
The IUPAC name of (E)-3-(5-methylthiophen-2-yl)-N-(2,2,2-trifluoroethoxy)prop-2-enamide (CID 81343086) is (E)-3-(5-methylthiophen-2-yl)-N-(2,2,2-trifluoroethoxy)prop-2-enamide.
What is the SMILES notation for (E)-3-(5-methylthiophen-2-yl)-N-(2,2,2-trifluoroethoxy)prop-2-enamide?
The canonical SMILES for (E)-3-(5-methylthiophen-2-yl)-N-(2,2,2-trifluoroethoxy)prop-2-enamide is Cc1ccc(/C=C/C(=O)NOCC(F)(F)F)s1.
What is the InChIKey of (E)-3-(5-methylthiophen-2-yl)-N-(2,2,2-trifluoroethoxy)prop-2-enamide?
The InChIKey is DHGDKTYWTWVISF-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H10F3NO2S/c1-7-2-3-8(17-7)4-5-9(15)14-16-6-10(11,12)13/h2-5H,6H2,1H3,(H,14,15)/b5-4+.
What are the key properties of (E)-3-(5-methylthiophen-2-yl)-N-(2,2,2-trifluoroethoxy)prop-2-enamide?
(E)-3-(5-methylthiophen-2-yl)-N-(2,2,2-trifluoroethoxy)prop-2-enamide has a molecular weight of 265.26 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-methylthiophen-2-yl)-N-(2,2,2-trifluoroethoxy)prop-2-enamide is sourced from PubChem (CID 81343086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).