(Z)-3-hydroxy-N-[4-(trifluoromethyl)phenyl]but-2-enamide

C11H10F3NO2 — CID 54710314

IUPAC(Z)-3-hydroxy-N-[4-(trifluoromethyl)phenyl]but-2-enamide
SMILESC/C(O)=C/C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H10F3NO2/c1-7(16)6-10(17)15-9-4-2-8(3-5-9)11(12,13)14/h2-6,16H,1H3,(H,15,17)/b7-6-
InChIKeyYGGWFYWLWZSUHH-SREVYHEPSA-N
MW245.20 g/mol
LogP3.11
Rot. Bonds2

About (Z)-3-hydroxy-N-[4-(trifluoromethyl)phenyl]but-2-enamide

(Z)-3-hydroxy-N-[4-(trifluoromethyl)phenyl]but-2-enamide (PubChem CID 54710314) has the molecular formula C11H10F3NO2 and a molecular weight of 245.20 g/mol. Its IUPAC name is (Z)-3-hydroxy-N-[4-(trifluoromethyl)phenyl]but-2-enamide.

Molecular Properties

Compound Name(Z)-3-hydroxy-N-[4-(trifluoromethyl)phenyl]but-2-enamide
PubChem CID54710314
Molecular FormulaC11H10F3NO2
Molecular Weight245.20 g/mol
Exact Mass245.07
IUPAC Name(Z)-3-hydroxy-N-[4-(trifluoromethyl)phenyl]but-2-enamide
SMILESC/C(O)=C/C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H10F3NO2/c1-7(16)6-10(17)15-9-4-2-8(3-5-9)11(12,13)14/h2-6,16H,1H3,(H,15,17)/b7-6-
InChIKeyYGGWFYWLWZSUHH-SREVYHEPSA-N
XLogP3.11
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 53.11
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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Related Compounds

molecular nitrogen;N-[4-(trifluoromethyl)phenyl]acetamide
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3-methyl-N'-[4-(trifluoromethyl)phenyl]but-2-enehydrazide
CID 176904824
(E)-N-(4-tert-butylphenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
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dimethyl (Z)-2-[4-(trifluoromethyl)anilino]but-2-enedioate
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1-prop-1-en-2-yl-3-[4-(trifluoromethyl)phenyl]urea
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potassium [4-(trifluoromethyl)phenyl]carbamoylazanide
CID 143489977
(2R)-2-hydroxy-N-[4-(trifluoromethyl)phenyl]propanamide
CID 94685800
(2S)-2-hydroxy-N-[4-(trifluoromethyl)phenyl]propanamide
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2-hydroxy-N-[4-(trifluoromethyl)phenyl]propanamide
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(2E)-2-(diaminomethylidenehydrazinylidene)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 45480867

Frequently Asked Questions

What is the IUPAC name of (Z)-3-hydroxy-N-[4-(trifluoromethyl)phenyl]but-2-enamide?
The IUPAC name of (Z)-3-hydroxy-N-[4-(trifluoromethyl)phenyl]but-2-enamide (CID 54710314) is (Z)-3-hydroxy-N-[4-(trifluoromethyl)phenyl]but-2-enamide.
What is the SMILES notation for (Z)-3-hydroxy-N-[4-(trifluoromethyl)phenyl]but-2-enamide?
The canonical SMILES for (Z)-3-hydroxy-N-[4-(trifluoromethyl)phenyl]but-2-enamide is C/C(O)=C/C(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of (Z)-3-hydroxy-N-[4-(trifluoromethyl)phenyl]but-2-enamide?
The InChIKey is YGGWFYWLWZSUHH-SREVYHEPSA-N. The full InChI is InChI=1S/C11H10F3NO2/c1-7(16)6-10(17)15-9-4-2-8(3-5-9)11(12,13)14/h2-6,16H,1H3,(H,15,17)/b7-6-.
What are the key properties of (Z)-3-hydroxy-N-[4-(trifluoromethyl)phenyl]but-2-enamide?
(Z)-3-hydroxy-N-[4-(trifluoromethyl)phenyl]but-2-enamide has a molecular weight of 245.20 g/mol, XLogP of 3.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-hydroxy-N-[4-(trifluoromethyl)phenyl]but-2-enamide is sourced from PubChem (CID 54710314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).