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

C10H8F3NO2 — CID 70004641

IUPAC3-phenyl-3-(trifluoromethoxy)prop-2-enamide
SMILESNC(=O)C=C(OC(F)(F)F)c1ccccc1
InChIInChI=1S/C10H8F3NO2/c11-10(12,13)16-8(6-9(14)15)7-4-2-1-3-5-7/h1-6H,(H2,14,15)
InChIKeySLSWGVURCOBPFU-UHFFFAOYSA-N
MW231.17 g/mol
LogP2.05
Rot. Bonds3

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

3-phenyl-3-(trifluoromethoxy)prop-2-enamide (PubChem CID 70004641) has the molecular formula C10H8F3NO2 and a molecular weight of 231.17 g/mol. Its IUPAC name is 3-phenyl-3-(trifluoromethoxy)prop-2-enamide.

Molecular Properties

Compound Name3-phenyl-3-(trifluoromethoxy)prop-2-enamide
PubChem CID70004641
Molecular FormulaC10H8F3NO2
Molecular Weight231.17 g/mol
Exact Mass231.05
IUPAC Name3-phenyl-3-(trifluoromethoxy)prop-2-enamide
SMILESNC(=O)C=C(OC(F)(F)F)c1ccccc1
InChIInChI=1S/C10H8F3NO2/c11-10(12,13)16-8(6-9(14)15)7-4-2-1-3-5-7/h1-6H,(H2,14,15)
InChIKeySLSWGVURCOBPFU-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3(2H)-Isoxazolone, 5-phenyl-
CID 70318
1,1,1-Trifluoro-4-methoxy-4-(4-fluorophenyl)-3-buten-2-one
CID 10634262
(Z)-4,4,4-Trifluoro-1-methoxy-1-phenyl-1-butene-3-one
CID 10751914
4-Ethoxy-1,1,1-trifluoro-4-phenylbut-3-en-2-one
CID 10857706
(E)-1,1,1-trifluoro-4-methoxy-4-phenylbut-3-en-2-one
CID 11424719
(E)-1,1,1-trifluoro-4-(4-fluorophenyl)-4-methoxybut-3-en-2-one
CID 11425157
(Z)-1,1,1-trifluoro-4-methoxy-3-methyl-4-phenylbut-3-en-2-one
CID 12079471
(Z)-3-hydroxy-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 54704246
1,1,1-Trifluoro-4-methoxy-4-phenyl-3-buten-2-one
CID 72956547
6-(1,1,2,2,2-Pentafluoroethyl)-2-phenyl-5-(trifluoromethyl)-1,3-oxazin-4-one
CID 134922293
2-Phenyl-6-(trifluoromethyl)pyran-4-one
CID 162397669
3-Buten-2-one, 1,1,1-trifluoro-4-(phenylmethoxy)-, (3E)-
CID 11053414

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-3-(trifluoromethoxy)prop-2-enamide?
The IUPAC name of 3-phenyl-3-(trifluoromethoxy)prop-2-enamide (CID 70004641) is 3-phenyl-3-(trifluoromethoxy)prop-2-enamide.
What is the SMILES notation for 3-phenyl-3-(trifluoromethoxy)prop-2-enamide?
The canonical SMILES for 3-phenyl-3-(trifluoromethoxy)prop-2-enamide is NC(=O)C=C(OC(F)(F)F)c1ccccc1.
What is the InChIKey of 3-phenyl-3-(trifluoromethoxy)prop-2-enamide?
The InChIKey is SLSWGVURCOBPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3NO2/c11-10(12,13)16-8(6-9(14)15)7-4-2-1-3-5-7/h1-6H,(H2,14,15).
What are the key properties of 3-phenyl-3-(trifluoromethoxy)prop-2-enamide?
3-phenyl-3-(trifluoromethoxy)prop-2-enamide has a molecular weight of 231.17 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-3-(trifluoromethoxy)prop-2-enamide is sourced from PubChem (CID 70004641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).