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

C14H16F3NO3 — CID 103730683

IUPAC(E)-3-[5-(2-methylcyclopropyl)furan-2-yl]-N-(3,3,3-trifluoro-2-hydroxypropyl)prop-2-enamide
SMILESCC1CC1c1ccc(/C=C/C(=O)NCC(O)C(F)(F)F)o1
InChIInChI=1S/C14H16F3NO3/c1-8-6-10(8)11-4-2-9(21-11)3-5-13(20)18-7-12(19)14(15,16)17/h2-5,8,10,12,19H,6-7H2,1H3,(H,18,20)/b5-3+
InChIKeyYDKSAHOMTSSVMN-HWKANZROSA-N
MW303.28 g/mol
LogP2.46
Rot. Bonds5

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

(E)-3-[5-(2-methylcyclopropyl)furan-2-yl]-N-(3,3,3-trifluoro-2-hydroxypropyl)prop-2-enamide (PubChem CID 103730683) has the molecular formula C14H16F3NO3 and a molecular weight of 303.28 g/mol. Its IUPAC name is (E)-3-[5-(2-methylcyclopropyl)furan-2-yl]-N-(3,3,3-trifluoro-2-hydroxypropyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[5-(2-methylcyclopropyl)furan-2-yl]-N-(3,3,3-trifluoro-2-hydroxypropyl)prop-2-enamide
PubChem CID103730683
Molecular FormulaC14H16F3NO3
Molecular Weight303.28 g/mol
Exact Mass303.11
IUPAC Name(E)-3-[5-(2-methylcyclopropyl)furan-2-yl]-N-(3,3,3-trifluoro-2-hydroxypropyl)prop-2-enamide
SMILESCC1CC1c1ccc(/C=C/C(=O)NCC(O)C(F)(F)F)o1
InChIInChI=1S/C14H16F3NO3/c1-8-6-10(8)11-4-2-9(21-11)3-5-13(20)18-7-12(19)14(15,16)17/h2-5,8,10,12,19H,6-7H2,1H3,(H,18,20)/b5-3+
InChIKeyYDKSAHOMTSSVMN-HWKANZROSA-N
XLogP2.46
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-3-[5-(2-methylcyclopropyl)furan-2-yl]-N-(3,3,3-trifluoro-2-hydroxypropyl)prop-2-enamide with MolForge

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Related Compounds

1-(a-Furyl)-2-ethyl-3-acetamidopropane
CID 129804425
(E)-3-[5-(4-fluorophenyl)furan-2-yl]-N-(3-methoxypropyl)prop-2-enamide
CID 2325087
3-[5-(4-fluorophenyl)furan-2-yl]-N-(3-methoxypropyl)prop-2-enamide
CID 3476503
(E)-N-(3-ethoxypropyl)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enamide
CID 24447658
(E)-N-[2-(4-fluorophenyl)ethyl]-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
CID 43034837
(E)-N-[2-(3-fluorophenyl)ethyl]-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
CID 46649514
(E)-3-[5-(2-methylcyclopropyl)furan-2-yl]-N-(2,2,2-trifluoroethyl)prop-2-enamide
CID 47126485
N-[4-(4-fluorophenoxy)butyl]-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide
CID 55447987
(E)-N-butyl-3-[5-(2-methylcyclopropyl)furan-2-yl]-N-(2,2,2-trifluoroethyl)prop-2-enamide
CID 55763532
N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide
CID 56090400
N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide
CID 56147581
(E)-N-[2-(3,5-difluorophenyl)ethyl]-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
CID 56269174

Frequently Asked Questions

What is the IUPAC name of (E)-3-[5-(2-methylcyclopropyl)furan-2-yl]-N-(3,3,3-trifluoro-2-hydroxypropyl)prop-2-enamide?
The IUPAC name of (E)-3-[5-(2-methylcyclopropyl)furan-2-yl]-N-(3,3,3-trifluoro-2-hydroxypropyl)prop-2-enamide (CID 103730683) is (E)-3-[5-(2-methylcyclopropyl)furan-2-yl]-N-(3,3,3-trifluoro-2-hydroxypropyl)prop-2-enamide.
What is the SMILES notation for (E)-3-[5-(2-methylcyclopropyl)furan-2-yl]-N-(3,3,3-trifluoro-2-hydroxypropyl)prop-2-enamide?
The canonical SMILES for (E)-3-[5-(2-methylcyclopropyl)furan-2-yl]-N-(3,3,3-trifluoro-2-hydroxypropyl)prop-2-enamide is CC1CC1c1ccc(/C=C/C(=O)NCC(O)C(F)(F)F)o1.
What is the InChIKey of (E)-3-[5-(2-methylcyclopropyl)furan-2-yl]-N-(3,3,3-trifluoro-2-hydroxypropyl)prop-2-enamide?
The InChIKey is YDKSAHOMTSSVMN-HWKANZROSA-N. The full InChI is InChI=1S/C14H16F3NO3/c1-8-6-10(8)11-4-2-9(21-11)3-5-13(20)18-7-12(19)14(15,16)17/h2-5,8,10,12,19H,6-7H2,1H3,(H,18,20)/b5-3+.
What are the key properties of (E)-3-[5-(2-methylcyclopropyl)furan-2-yl]-N-(3,3,3-trifluoro-2-hydroxypropyl)prop-2-enamide?
(E)-3-[5-(2-methylcyclopropyl)furan-2-yl]-N-(3,3,3-trifluoro-2-hydroxypropyl)prop-2-enamide has a molecular weight of 303.28 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[5-(2-methylcyclopropyl)furan-2-yl]-N-(3,3,3-trifluoro-2-hydroxypropyl)prop-2-enamide is sourced from PubChem (CID 103730683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).