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

C10H8F3NO2 — CID 69489696

IUPAC3-[3-(trifluoromethoxy)phenyl]prop-2-enamide
SMILESNC(=O)C=Cc1cccc(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)
InChIKeyQPDVLCSDODZZOT-UHFFFAOYSA-N
MW231.17 g/mol
LogP2.08
Rot. Bonds3

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

3-[3-(trifluoromethoxy)phenyl]prop-2-enamide (PubChem CID 69489696) has the molecular formula C10H8F3NO2 and a molecular weight of 231.17 g/mol. Its IUPAC name is 3-[3-(trifluoromethoxy)phenyl]prop-2-enamide.

Molecular Properties

Compound Name3-[3-(trifluoromethoxy)phenyl]prop-2-enamide
PubChem CID69489696
Molecular FormulaC10H8F3NO2
Molecular Weight231.17 g/mol
Exact Mass231.05
IUPAC Name3-[3-(trifluoromethoxy)phenyl]prop-2-enamide
SMILESNC(=O)C=Cc1cccc(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)
InChIKeyQPDVLCSDODZZOT-UHFFFAOYSA-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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Related Compounds

(Z)-3-[3-(trifluoromethoxy)phenyl]prop-2-enoate
CID 7567628
(E)-3-[3-(trifluoromethoxy)phenyl]prop-2-enoate
CID 6930859
ethyl 3-[3-(trifluoromethoxy)phenyl]prop-2-enoate
CID 54080322
2-[3-(trifluoromethoxy)phenyl]ethenamine
CID 141333954
1-[(Z)-prop-1-enyl]-3-(trifluoromethoxy)benzene
CID 89117521
(E)-3-phenyl-1-[3-(trifluoromethoxy)phenyl]prop-2-en-1-one
CID 146008205
3-[3-(trifluoromethoxy)phenyl]prop-2-en-1-amine
CID 131874378
3-[2-amino-5-(trifluoromethoxy)phenyl]prop-2-enamide
CID 169482579
3-[3-(trifluoromethylsulfinyl)phenyl]prop-2-enamide
CID 91444164
(Z)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]prop-2-enamide
CID 170877218
methane;3-(trifluoromethoxy)benzaldehyde
CID 143923091
3-[2-chloro-4-(trifluoromethoxy)phenyl]prop-2-enamide
CID 169482535

Frequently Asked Questions

What is the IUPAC name of 3-[3-(trifluoromethoxy)phenyl]prop-2-enamide?
The IUPAC name of 3-[3-(trifluoromethoxy)phenyl]prop-2-enamide (CID 69489696) is 3-[3-(trifluoromethoxy)phenyl]prop-2-enamide.
What is the SMILES notation for 3-[3-(trifluoromethoxy)phenyl]prop-2-enamide?
The canonical SMILES for 3-[3-(trifluoromethoxy)phenyl]prop-2-enamide is NC(=O)C=Cc1cccc(OC(F)(F)F)c1.
What is the InChIKey of 3-[3-(trifluoromethoxy)phenyl]prop-2-enamide?
The InChIKey is QPDVLCSDODZZOT-UHFFFAOYSA-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).
What are the key properties of 3-[3-(trifluoromethoxy)phenyl]prop-2-enamide?
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 3-[3-(trifluoromethoxy)phenyl]prop-2-enamide is sourced from PubChem (CID 69489696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).