(Z)-3-hydroxy-3-[3-(trifluoromethyl)phenyl]prop-2-enamide

C10H8F3NO2 — CID 54704246

IUPAC(Z)-3-hydroxy-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
SMILESNC(=O)/C=C(\O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H8F3NO2/c11-10(12,13)7-3-1-2-6(4-7)8(15)5-9(14)16/h1-5,15H,(H2,14,16)/b8-5-
InChIKeyIKQRSRZCROLIMX-YVMONPNESA-N
MW231.17 g/mol
LogP2.09
Rot. Bonds2

About (Z)-3-hydroxy-3-[3-(trifluoromethyl)phenyl]prop-2-enamide

(Z)-3-hydroxy-3-[3-(trifluoromethyl)phenyl]prop-2-enamide (PubChem CID 54704246) has the molecular formula C10H8F3NO2 and a molecular weight of 231.17 g/mol. Its IUPAC name is (Z)-3-hydroxy-3-[3-(trifluoromethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-hydroxy-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
PubChem CID54704246
Molecular FormulaC10H8F3NO2
Molecular Weight231.17 g/mol
Exact Mass231.05
IUPAC Name(Z)-3-hydroxy-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
SMILESNC(=O)/C=C(\O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H8F3NO2/c11-10(12,13)7-3-1-2-6(4-7)8(15)5-9(14)16/h1-5,15H,(H2,14,16)/b8-5-
InChIKeyIKQRSRZCROLIMX-YVMONPNESA-N
XLogP2.09
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.17
LogP ≤ 52.09
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of (Z)-3-hydroxy-3-[3-(trifluoromethyl)phenyl]prop-2-enamide?
The IUPAC name of (Z)-3-hydroxy-3-[3-(trifluoromethyl)phenyl]prop-2-enamide (CID 54704246) is (Z)-3-hydroxy-3-[3-(trifluoromethyl)phenyl]prop-2-enamide.
What is the SMILES notation for (Z)-3-hydroxy-3-[3-(trifluoromethyl)phenyl]prop-2-enamide?
The canonical SMILES for (Z)-3-hydroxy-3-[3-(trifluoromethyl)phenyl]prop-2-enamide is NC(=O)/C=C(\O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of (Z)-3-hydroxy-3-[3-(trifluoromethyl)phenyl]prop-2-enamide?
The InChIKey is IKQRSRZCROLIMX-YVMONPNESA-N. The full InChI is InChI=1S/C10H8F3NO2/c11-10(12,13)7-3-1-2-6(4-7)8(15)5-9(14)16/h1-5,15H,(H2,14,16)/b8-5-.
What are the key properties of (Z)-3-hydroxy-3-[3-(trifluoromethyl)phenyl]prop-2-enamide?
(Z)-3-hydroxy-3-[3-(trifluoromethyl)phenyl]prop-2-enamide has a molecular weight of 231.17 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-hydroxy-3-[3-(trifluoromethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 54704246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).