(E)-3-[5-(2-methylcyclopropyl)furan-2-yl]-N-(2,2,2-trifluoroethyl)prop-2-enamide

C13H14F3NO2 — CID 47126485

IUPAC(E)-3-[5-(2-methylcyclopropyl)furan-2-yl]-N-(2,2,2-trifluoroethyl)prop-2-enamide
SMILESCC1CC1c1ccc(/C=C/C(=O)NCC(F)(F)F)o1
InChIInChI=1S/C13H14F3NO2/c1-8-6-10(8)11-4-2-9(19-11)3-5-12(18)17-7-13(14,15)16/h2-5,8,10H,6-7H2,1H3,(H,17,18)/b5-3+
InChIKeyOWVGMEGRGPTAFR-HWKANZROSA-N
MW273.25 g/mol
LogP3.09
Rot. Bonds4

About (E)-3-[5-(2-methylcyclopropyl)furan-2-yl]-N-(2,2,2-trifluoroethyl)prop-2-enamide

(E)-3-[5-(2-methylcyclopropyl)furan-2-yl]-N-(2,2,2-trifluoroethyl)prop-2-enamide (PubChem CID 47126485) has the molecular formula C13H14F3NO2 and a molecular weight of 273.25 g/mol. Its IUPAC name is (E)-3-[5-(2-methylcyclopropyl)furan-2-yl]-N-(2,2,2-trifluoroethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[5-(2-methylcyclopropyl)furan-2-yl]-N-(2,2,2-trifluoroethyl)prop-2-enamide
PubChem CID47126485
Molecular FormulaC13H14F3NO2
Molecular Weight273.25 g/mol
Exact Mass273.10
IUPAC Name(E)-3-[5-(2-methylcyclopropyl)furan-2-yl]-N-(2,2,2-trifluoroethyl)prop-2-enamide
SMILESCC1CC1c1ccc(/C=C/C(=O)NCC(F)(F)F)o1
InChIInChI=1S/C13H14F3NO2/c1-8-6-10(8)11-4-2-9(19-11)3-5-12(18)17-7-13(14,15)16/h2-5,8,10H,6-7H2,1H3,(H,17,18)/b5-3+
InChIKeyOWVGMEGRGPTAFR-HWKANZROSA-N
XLogP3.09
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[5-(2-methylcyclopropyl)furan-2-yl]-N-(2,2,2-trifluoroethyl)prop-2-enamide?
The IUPAC name of (E)-3-[5-(2-methylcyclopropyl)furan-2-yl]-N-(2,2,2-trifluoroethyl)prop-2-enamide (CID 47126485) is (E)-3-[5-(2-methylcyclopropyl)furan-2-yl]-N-(2,2,2-trifluoroethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-[5-(2-methylcyclopropyl)furan-2-yl]-N-(2,2,2-trifluoroethyl)prop-2-enamide?
The canonical SMILES for (E)-3-[5-(2-methylcyclopropyl)furan-2-yl]-N-(2,2,2-trifluoroethyl)prop-2-enamide is CC1CC1c1ccc(/C=C/C(=O)NCC(F)(F)F)o1.
What is the InChIKey of (E)-3-[5-(2-methylcyclopropyl)furan-2-yl]-N-(2,2,2-trifluoroethyl)prop-2-enamide?
The InChIKey is OWVGMEGRGPTAFR-HWKANZROSA-N. The full InChI is InChI=1S/C13H14F3NO2/c1-8-6-10(8)11-4-2-9(19-11)3-5-12(18)17-7-13(14,15)16/h2-5,8,10H,6-7H2,1H3,(H,17,18)/b5-3+.
What are the key properties of (E)-3-[5-(2-methylcyclopropyl)furan-2-yl]-N-(2,2,2-trifluoroethyl)prop-2-enamide?
(E)-3-[5-(2-methylcyclopropyl)furan-2-yl]-N-(2,2,2-trifluoroethyl)prop-2-enamide has a molecular weight of 273.25 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[5-(2-methylcyclopropyl)furan-2-yl]-N-(2,2,2-trifluoroethyl)prop-2-enamide is sourced from PubChem (CID 47126485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).