3-phenyl-N-(2,2,2-trifluoroacetyl)prop-2-enamide

C11H8F3NO2 — CID 57300906

IUPAC3-phenyl-N-(2,2,2-trifluoroacetyl)prop-2-enamide
SMILESO=C(C=Cc1ccccc1)NC(=O)C(F)(F)F
InChIInChI=1S/C11H8F3NO2/c12-11(13,14)10(17)15-9(16)7-6-8-4-2-1-3-5-8/h1-7H,(H,15,16,17)
InChIKeyWSEBVAWMSVXMTQ-UHFFFAOYSA-N
MW243.18 g/mol
LogP1.90
Rot. Bonds2

About 3-phenyl-N-(2,2,2-trifluoroacetyl)prop-2-enamide

3-phenyl-N-(2,2,2-trifluoroacetyl)prop-2-enamide (PubChem CID 57300906) has the molecular formula C11H8F3NO2 and a molecular weight of 243.18 g/mol. Its IUPAC name is 3-phenyl-N-(2,2,2-trifluoroacetyl)prop-2-enamide.

Molecular Properties

Compound Name3-phenyl-N-(2,2,2-trifluoroacetyl)prop-2-enamide
PubChem CID57300906
Molecular FormulaC11H8F3NO2
Molecular Weight243.18 g/mol
Exact Mass243.05
IUPAC Name3-phenyl-N-(2,2,2-trifluoroacetyl)prop-2-enamide
SMILESO=C(C=Cc1ccccc1)NC(=O)C(F)(F)F
InChIInChI=1S/C11H8F3NO2/c12-11(13,14)10(17)15-9(16)7-6-8-4-2-1-3-5-8/h1-7H,(H,15,16,17)
InChIKeyWSEBVAWMSVXMTQ-UHFFFAOYSA-N
XLogP1.90
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.18
LogP ≤ 51.90
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

2,2-dimethyl-N-[(E)-3-phenylprop-2-enoyl]propanamide
CID 102034049
[(E)-3-phenylprop-2-enoyl]carbamic acid
CID 140993183
(E)-3-phenyl-N-[(2Z,4Z)-1,1,1-trifluoro-2-methylhepta-2,4,6-trien-3-yl]prop-2-enamide
CID 163899918
(Z)-3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]prop-2-enamide
CID 51351606
tert-butyl N-(3-phenylprop-2-enoyl)carbamate
CID 123902044
(E)-3-phenyl-N-[N'-(trifluoromethoxy)carbamimidoyl]prop-2-enamide
CID 173169651
(Z)-3-phenyl-2-[[(Z)-3-phenylprop-2-enoyl]amino]prop-2-enoic acid
CID 92899678
3-oxo-N-[(E)-3-phenylprop-2-enoyl]butanamide
CID 12682099
2,2,2-trifluoro-N-[4-[(E)-2-phenylethenyl]phenyl]acetamide
CID 141369710
2,2,2-trifluoro-N-[4-[(E)-3-phenylprop-2-enoyl]phenyl]acetamide
CID 163752454
(E)-N-chloro-3-phenylprop-2-enamide
CID 18537372
O-methyl N-(3-phenylprop-2-enoyl)carbamothioate
CID 2826352

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-(2,2,2-trifluoroacetyl)prop-2-enamide?
The IUPAC name of 3-phenyl-N-(2,2,2-trifluoroacetyl)prop-2-enamide (CID 57300906) is 3-phenyl-N-(2,2,2-trifluoroacetyl)prop-2-enamide.
What is the SMILES notation for 3-phenyl-N-(2,2,2-trifluoroacetyl)prop-2-enamide?
The canonical SMILES for 3-phenyl-N-(2,2,2-trifluoroacetyl)prop-2-enamide is O=C(C=Cc1ccccc1)NC(=O)C(F)(F)F.
What is the InChIKey of 3-phenyl-N-(2,2,2-trifluoroacetyl)prop-2-enamide?
The InChIKey is WSEBVAWMSVXMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NO2/c12-11(13,14)10(17)15-9(16)7-6-8-4-2-1-3-5-8/h1-7H,(H,15,16,17).
What are the key properties of 3-phenyl-N-(2,2,2-trifluoroacetyl)prop-2-enamide?
3-phenyl-N-(2,2,2-trifluoroacetyl)prop-2-enamide has a molecular weight of 243.18 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-(2,2,2-trifluoroacetyl)prop-2-enamide is sourced from PubChem (CID 57300906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).