(Z)-4-phenyl-3-(trifluoromethyl)but-3-enamide

C11H10F3NO — CID 71195629

IUPAC(Z)-4-phenyl-3-(trifluoromethyl)but-3-enamide
SMILESNC(=O)C/C(=C/c1ccccc1)C(F)(F)F
InChIInChI=1S/C11H10F3NO/c12-11(13,14)9(7-10(15)16)6-8-4-2-1-3-5-8/h1-6H,7H2,(H2,15,16)/b9-6-
InChIKeyDPSHXUXTFCFAEQ-TWGQIWQCSA-N
MW229.20 g/mol
LogP2.51
Rot. Bonds3

About (Z)-4-phenyl-3-(trifluoromethyl)but-3-enamide

(Z)-4-phenyl-3-(trifluoromethyl)but-3-enamide (PubChem CID 71195629) has the molecular formula C11H10F3NO and a molecular weight of 229.20 g/mol. Its IUPAC name is (Z)-4-phenyl-3-(trifluoromethyl)but-3-enamide.

Molecular Properties

Compound Name(Z)-4-phenyl-3-(trifluoromethyl)but-3-enamide
PubChem CID71195629
Molecular FormulaC11H10F3NO
Molecular Weight229.20 g/mol
Exact Mass229.07
IUPAC Name(Z)-4-phenyl-3-(trifluoromethyl)but-3-enamide
SMILESNC(=O)C/C(=C/c1ccccc1)C(F)(F)F
InChIInChI=1S/C11H10F3NO/c12-11(13,14)9(7-10(15)16)6-8-4-2-1-3-5-8/h1-6H,7H2,(H2,15,16)/b9-6-
InChIKeyDPSHXUXTFCFAEQ-TWGQIWQCSA-N
XLogP2.51
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-phenyl-3-(trifluoromethyl)but-3-enamide?
The IUPAC name of (Z)-4-phenyl-3-(trifluoromethyl)but-3-enamide (CID 71195629) is (Z)-4-phenyl-3-(trifluoromethyl)but-3-enamide.
What is the SMILES notation for (Z)-4-phenyl-3-(trifluoromethyl)but-3-enamide?
The canonical SMILES for (Z)-4-phenyl-3-(trifluoromethyl)but-3-enamide is NC(=O)C/C(=C/c1ccccc1)C(F)(F)F.
What is the InChIKey of (Z)-4-phenyl-3-(trifluoromethyl)but-3-enamide?
The InChIKey is DPSHXUXTFCFAEQ-TWGQIWQCSA-N. The full InChI is InChI=1S/C11H10F3NO/c12-11(13,14)9(7-10(15)16)6-8-4-2-1-3-5-8/h1-6H,7H2,(H2,15,16)/b9-6-.
What are the key properties of (Z)-4-phenyl-3-(trifluoromethyl)but-3-enamide?
(Z)-4-phenyl-3-(trifluoromethyl)but-3-enamide has a molecular weight of 229.20 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-phenyl-3-(trifluoromethyl)but-3-enamide is sourced from PubChem (CID 71195629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).