(E)-N-[1-(trifluoromethyl)cyclopropyl]but-2-enamide

C8H10F3NO — CID 103750254

IUPAC(E)-N-[1-(trifluoromethyl)cyclopropyl]but-2-enamide
SMILESC/C=C/C(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C8H10F3NO/c1-2-3-6(13)12-7(4-5-7)8(9,10)11/h2-3H,4-5H2,1H3,(H,12,13)/b3-2+
InChIKeyJHZVUJYLUJARMY-NSCUHMNNSA-N
MW193.17 g/mol
LogP1.77
Rot. Bonds2

About (E)-N-[1-(trifluoromethyl)cyclopropyl]but-2-enamide

(E)-N-[1-(trifluoromethyl)cyclopropyl]but-2-enamide (PubChem CID 103750254) has the molecular formula C8H10F3NO and a molecular weight of 193.17 g/mol. Its IUPAC name is (E)-N-[1-(trifluoromethyl)cyclopropyl]but-2-enamide.

Molecular Properties

Compound Name(E)-N-[1-(trifluoromethyl)cyclopropyl]but-2-enamide
PubChem CID103750254
Molecular FormulaC8H10F3NO
Molecular Weight193.17 g/mol
Exact Mass193.07
IUPAC Name(E)-N-[1-(trifluoromethyl)cyclopropyl]but-2-enamide
SMILESC/C=C/C(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C8H10F3NO/c1-2-3-6(13)12-7(4-5-7)8(9,10)11/h2-3H,4-5H2,1H3,(H,12,13)/b3-2+
InChIKeyJHZVUJYLUJARMY-NSCUHMNNSA-N
XLogP1.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-N-[1-(trifluoromethyl)cyclopropyl]but-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-N-[1-(trifluoromethyl)cyclopropyl]but-2-enamide?
The IUPAC name of (E)-N-[1-(trifluoromethyl)cyclopropyl]but-2-enamide (CID 103750254) is (E)-N-[1-(trifluoromethyl)cyclopropyl]but-2-enamide.
What is the SMILES notation for (E)-N-[1-(trifluoromethyl)cyclopropyl]but-2-enamide?
The canonical SMILES for (E)-N-[1-(trifluoromethyl)cyclopropyl]but-2-enamide is C/C=C/C(=O)NC1(C(F)(F)F)CC1.
What is the InChIKey of (E)-N-[1-(trifluoromethyl)cyclopropyl]but-2-enamide?
The InChIKey is JHZVUJYLUJARMY-NSCUHMNNSA-N. The full InChI is InChI=1S/C8H10F3NO/c1-2-3-6(13)12-7(4-5-7)8(9,10)11/h2-3H,4-5H2,1H3,(H,12,13)/b3-2+.
What are the key properties of (E)-N-[1-(trifluoromethyl)cyclopropyl]but-2-enamide?
(E)-N-[1-(trifluoromethyl)cyclopropyl]but-2-enamide has a molecular weight of 193.17 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[1-(trifluoromethyl)cyclopropyl]but-2-enamide is sourced from PubChem (CID 103750254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).