N-[(Z)-3,3,3-trifluoro-1-(4-methoxyphenyl)prop-1-en-2-yl]acetamide

C12H12F3NO2 — CID 135086070

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

About N-[(Z)-3,3,3-trifluoro-1-(4-methoxyphenyl)prop-1-en-2-yl]acetamide

N-[(Z)-3,3,3-trifluoro-1-(4-methoxyphenyl)prop-1-en-2-yl]acetamide (PubChem CID 135086070) has the molecular formula C12H12F3NO2 and a molecular weight of 259.23 g/mol. Its IUPAC name is N-[(Z)-3,3,3-trifluoro-1-(4-methoxyphenyl)prop-1-en-2-yl]acetamide.

Molecular Properties

Compound NameN-[(Z)-3,3,3-trifluoro-1-(4-methoxyphenyl)prop-1-en-2-yl]acetamide
PubChem CID135086070
Molecular FormulaC12H12F3NO2
Molecular Weight259.23 g/mol
Exact Mass259.08
IUPAC NameN-[(Z)-3,3,3-trifluoro-1-(4-methoxyphenyl)prop-1-en-2-yl]acetamide
SMILESCOc1ccc(/C=C(\NC(C)=O)C(F)(F)F)cc1
InChIInChI=1S/C12H12F3NO2/c1-8(17)16-11(12(13,14)15)7-9-3-5-10(18-2)6-4-9/h3-7H,1-2H3,(H,16,17)/b11-7-
InChIKeySIKWHHOKOLQNNE-XFFZJAGNSA-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-[(Z)-3,3,3-trifluoro-1-(4-methoxyphenyl)prop-1-en-2-yl]acetamide?
The IUPAC name of N-[(Z)-3,3,3-trifluoro-1-(4-methoxyphenyl)prop-1-en-2-yl]acetamide (CID 135086070) is N-[(Z)-3,3,3-trifluoro-1-(4-methoxyphenyl)prop-1-en-2-yl]acetamide.
What is the SMILES notation for N-[(Z)-3,3,3-trifluoro-1-(4-methoxyphenyl)prop-1-en-2-yl]acetamide?
The canonical SMILES for N-[(Z)-3,3,3-trifluoro-1-(4-methoxyphenyl)prop-1-en-2-yl]acetamide is COc1ccc(/C=C(\NC(C)=O)C(F)(F)F)cc1.
What is the InChIKey of N-[(Z)-3,3,3-trifluoro-1-(4-methoxyphenyl)prop-1-en-2-yl]acetamide?
The InChIKey is SIKWHHOKOLQNNE-XFFZJAGNSA-N. The full InChI is InChI=1S/C12H12F3NO2/c1-8(17)16-11(12(13,14)15)7-9-3-5-10(18-2)6-4-9/h3-7H,1-2H3,(H,16,17)/b11-7-.
What are the key properties of N-[(Z)-3,3,3-trifluoro-1-(4-methoxyphenyl)prop-1-en-2-yl]acetamide?
N-[(Z)-3,3,3-trifluoro-1-(4-methoxyphenyl)prop-1-en-2-yl]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-[(Z)-3,3,3-trifluoro-1-(4-methoxyphenyl)prop-1-en-2-yl]acetamide is sourced from PubChem (CID 135086070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).