(E)-3-[3-(trifluoromethoxy)phenyl]prop-2-enamide

C10H8F3NO2 — CID 18453525

IUPAC(E)-3-[3-(trifluoromethoxy)phenyl]prop-2-enamide
SMILESNC(=O)/C=C/c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C10H8F3NO2/c11-10(12,13)16-8-3-1-2-7(6-8)4-5-9(14)15/h1-6H,(H2,14,15)/b5-4+
InChIKeyQPDVLCSDODZZOT-SNAWJCMRSA-N
MW231.17 g/mol
LogP2.08
Rot. Bonds3

About (E)-3-[3-(trifluoromethoxy)phenyl]prop-2-enamide

(E)-3-[3-(trifluoromethoxy)phenyl]prop-2-enamide (PubChem CID 18453525) has the molecular formula C10H8F3NO2 and a molecular weight of 231.17 g/mol. Its IUPAC name is (E)-3-[3-(trifluoromethoxy)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[3-(trifluoromethoxy)phenyl]prop-2-enamide
PubChem CID18453525
Molecular FormulaC10H8F3NO2
Molecular Weight231.17 g/mol
Exact Mass231.05
IUPAC Name(E)-3-[3-(trifluoromethoxy)phenyl]prop-2-enamide
SMILESNC(=O)/C=C/c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C10H8F3NO2/c11-10(12,13)16-8-3-1-2-7(6-8)4-5-9(14)15/h1-6H,(H2,14,15)/b5-4+
InChIKeyQPDVLCSDODZZOT-SNAWJCMRSA-N
XLogP2.08
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.17
LogP ≤ 52.08
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-[3-(trifluoromethoxy)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-[3-(trifluoromethoxy)phenyl]prop-2-enamide (CID 18453525) is (E)-3-[3-(trifluoromethoxy)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-[3-(trifluoromethoxy)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-[3-(trifluoromethoxy)phenyl]prop-2-enamide is NC(=O)/C=C/c1cccc(OC(F)(F)F)c1.
What is the InChIKey of (E)-3-[3-(trifluoromethoxy)phenyl]prop-2-enamide?
The InChIKey is QPDVLCSDODZZOT-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H8F3NO2/c11-10(12,13)16-8-3-1-2-7(6-8)4-5-9(14)15/h1-6H,(H2,14,15)/b5-4+.
What are the key properties of (E)-3-[3-(trifluoromethoxy)phenyl]prop-2-enamide?
(E)-3-[3-(trifluoromethoxy)phenyl]prop-2-enamide has a molecular weight of 231.17 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[3-(trifluoromethoxy)phenyl]prop-2-enamide is sourced from PubChem (CID 18453525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).