(E)-N-cyclopropyl-3-[3-(trifluoromethyl)phenyl]prop-2-enamide

C13H12F3NO — CID 6434872

IUPAC(E)-N-cyclopropyl-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1cccc(C(F)(F)F)c1)NC1CC1
InChIInChI=1S/C13H12F3NO/c14-13(15,16)10-3-1-2-9(8-10)4-7-12(18)17-11-5-6-11/h1-4,7-8,11H,5-6H2,(H,17,18)/b7-4+
InChIKeyHQAQWHHPDKFGLV-QPJJXVBHSA-N
MW255.24 g/mol
LogP3.00
Rot. Bonds3

About (E)-N-cyclopropyl-3-[3-(trifluoromethyl)phenyl]prop-2-enamide

(E)-N-cyclopropyl-3-[3-(trifluoromethyl)phenyl]prop-2-enamide (PubChem CID 6434872) has the molecular formula C13H12F3NO and a molecular weight of 255.24 g/mol. Its IUPAC name is (E)-N-cyclopropyl-3-[3-(trifluoromethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-cyclopropyl-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
PubChem CID6434872
Molecular FormulaC13H12F3NO
Molecular Weight255.24 g/mol
Exact Mass255.09
IUPAC Name(E)-N-cyclopropyl-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1cccc(C(F)(F)F)c1)NC1CC1
InChIInChI=1S/C13H12F3NO/c14-13(15,16)10-3-1-2-9(8-10)4-7-12(18)17-11-5-6-11/h1-4,7-8,11H,5-6H2,(H,17,18)/b7-4+
InChIKeyHQAQWHHPDKFGLV-QPJJXVBHSA-N
XLogP3.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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)-N-cyclopropyl-3-[3-(trifluoromethyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-N-cyclopropyl-3-[3-(trifluoromethyl)phenyl]prop-2-enamide (CID 6434872) is (E)-N-cyclopropyl-3-[3-(trifluoromethyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-cyclopropyl-3-[3-(trifluoromethyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-cyclopropyl-3-[3-(trifluoromethyl)phenyl]prop-2-enamide is O=C(/C=C/c1cccc(C(F)(F)F)c1)NC1CC1.
What is the InChIKey of (E)-N-cyclopropyl-3-[3-(trifluoromethyl)phenyl]prop-2-enamide?
The InChIKey is HQAQWHHPDKFGLV-QPJJXVBHSA-N. The full InChI is InChI=1S/C13H12F3NO/c14-13(15,16)10-3-1-2-9(8-10)4-7-12(18)17-11-5-6-11/h1-4,7-8,11H,5-6H2,(H,17,18)/b7-4+.
What are the key properties of (E)-N-cyclopropyl-3-[3-(trifluoromethyl)phenyl]prop-2-enamide?
(E)-N-cyclopropyl-3-[3-(trifluoromethyl)phenyl]prop-2-enamide has a molecular weight of 255.24 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-cyclopropyl-3-[3-(trifluoromethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 6434872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).