N-[(E)-3,3,3-trifluoro-1-(4-methoxyphenyl)prop-1-enyl]acetamide

C12H12F3NO2 — CID 134838889

IUPACN-[(E)-3,3,3-trifluoro-1-(4-methoxyphenyl)prop-1-enyl]acetamide
SMILESCOc1ccc(/C(=C\C(F)(F)F)NC(C)=O)cc1
InChIInChI=1S/C12H12F3NO2/c1-8(17)16-11(7-12(13,14)15)9-3-5-10(18-2)6-4-9/h3-7H,1-2H3,(H,16,17)/b11-7+
InChIKeyXBFKCQUDFYPPNC-YRNVUSSQSA-N
MW259.23 g/mol
LogP2.73
Rot. Bonds3

About N-[(E)-3,3,3-trifluoro-1-(4-methoxyphenyl)prop-1-enyl]acetamide

N-[(E)-3,3,3-trifluoro-1-(4-methoxyphenyl)prop-1-enyl]acetamide (PubChem CID 134838889) has the molecular formula C12H12F3NO2 and a molecular weight of 259.23 g/mol. Its IUPAC name is N-[(E)-3,3,3-trifluoro-1-(4-methoxyphenyl)prop-1-enyl]acetamide.

Molecular Properties

Compound NameN-[(E)-3,3,3-trifluoro-1-(4-methoxyphenyl)prop-1-enyl]acetamide
PubChem CID134838889
Molecular FormulaC12H12F3NO2
Molecular Weight259.23 g/mol
Exact Mass259.08
IUPAC NameN-[(E)-3,3,3-trifluoro-1-(4-methoxyphenyl)prop-1-enyl]acetamide
SMILESCOc1ccc(/C(=C\C(F)(F)F)NC(C)=O)cc1
InChIInChI=1S/C12H12F3NO2/c1-8(17)16-11(7-12(13,14)15)9-3-5-10(18-2)6-4-9/h3-7H,1-2H3,(H,16,17)/b11-7+
InChIKeyXBFKCQUDFYPPNC-YRNVUSSQSA-N
XLogP2.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.23
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-3,3,3-trifluoro-1-(4-methoxyphenyl)prop-1-enyl]acetamide?
The IUPAC name of N-[(E)-3,3,3-trifluoro-1-(4-methoxyphenyl)prop-1-enyl]acetamide (CID 134838889) is N-[(E)-3,3,3-trifluoro-1-(4-methoxyphenyl)prop-1-enyl]acetamide.
What is the SMILES notation for N-[(E)-3,3,3-trifluoro-1-(4-methoxyphenyl)prop-1-enyl]acetamide?
The canonical SMILES for N-[(E)-3,3,3-trifluoro-1-(4-methoxyphenyl)prop-1-enyl]acetamide is COc1ccc(/C(=C\C(F)(F)F)NC(C)=O)cc1.
What is the InChIKey of N-[(E)-3,3,3-trifluoro-1-(4-methoxyphenyl)prop-1-enyl]acetamide?
The InChIKey is XBFKCQUDFYPPNC-YRNVUSSQSA-N. The full InChI is InChI=1S/C12H12F3NO2/c1-8(17)16-11(7-12(13,14)15)9-3-5-10(18-2)6-4-9/h3-7H,1-2H3,(H,16,17)/b11-7+.
What are the key properties of N-[(E)-3,3,3-trifluoro-1-(4-methoxyphenyl)prop-1-enyl]acetamide?
N-[(E)-3,3,3-trifluoro-1-(4-methoxyphenyl)prop-1-enyl]acetamide has a molecular weight of 259.23 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3,3,3-trifluoro-1-(4-methoxyphenyl)prop-1-enyl]acetamide is sourced from PubChem (CID 134838889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).