N-[3-[3-hydroxy-5-(trifluoromethyl)phenyl]prop-2-enyl]acetamide

C12H12F3NO2 — CID 169466014

IUPACN-[3-[3-hydroxy-5-(trifluoromethyl)phenyl]prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1cc(O)cc(C(F)(F)F)c1
InChIInChI=1S/C12H12F3NO2/c1-8(17)16-4-2-3-9-5-10(12(13,14)15)7-11(18)6-9/h2-3,5-7,18H,4H2,1H3,(H,16,17)
InChIKeyTYCAXYHOSZNHDA-UHFFFAOYSA-N
MW259.23 g/mol
LogP2.56
Rot. Bonds3

About N-[3-[3-hydroxy-5-(trifluoromethyl)phenyl]prop-2-enyl]acetamide

N-[3-[3-hydroxy-5-(trifluoromethyl)phenyl]prop-2-enyl]acetamide (PubChem CID 169466014) has the molecular formula C12H12F3NO2 and a molecular weight of 259.23 g/mol. Its IUPAC name is N-[3-[3-hydroxy-5-(trifluoromethyl)phenyl]prop-2-enyl]acetamide.

Molecular Properties

Compound NameN-[3-[3-hydroxy-5-(trifluoromethyl)phenyl]prop-2-enyl]acetamide
PubChem CID169466014
Molecular FormulaC12H12F3NO2
Molecular Weight259.23 g/mol
Exact Mass259.08
IUPAC NameN-[3-[3-hydroxy-5-(trifluoromethyl)phenyl]prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1cc(O)cc(C(F)(F)F)c1
InChIInChI=1S/C12H12F3NO2/c1-8(17)16-4-2-3-9-5-10(12(13,14)15)7-11(18)6-9/h2-3,5-7,18H,4H2,1H3,(H,16,17)
InChIKeyTYCAXYHOSZNHDA-UHFFFAOYSA-N
XLogP2.56
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.23
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-acetamidoprop-1-enyl)-5-(trifluoromethyl)benzoic acid
CID 169466368
N-[3-[3-chloro-5-(trifluoromethyl)phenyl]prop-2-enyl]acetamide
CID 169465954
ethyl 4-[3-hydroxy-5-(trifluoromethyl)phenyl]but-3-enoate
CID 170796694
N-[3-[3-amino-4-(trifluoromethyl)phenyl]prop-2-enyl]acetamide
CID 169466078
N-[3-[3-fluoro-4-(trifluoromethyl)phenyl]prop-2-enyl]acetamide
CID 169465955
N-[3-[2-methyl-4-(trifluoromethyl)phenyl]prop-2-enyl]acetamide
CID 169465937
4-[3-hydroxy-5-(trifluoromethyl)phenyl]but-3-enenitrile
CID 170800244
N-[3-[2-fluoro-4-(trifluoromethyl)phenyl]prop-2-enyl]acetamide
CID 169465950
N-[3-[4-amino-3-(trifluoromethyl)phenyl]prop-2-enyl]acetamide
CID 169466074
N-[3-(2,4,6-trihydroxyphenyl)prop-2-enyl]acetamide
CID 169466663
N-[3-(4-amino-3,5-difluorophenyl)prop-2-enyl]acetamide
CID 169465509
benzyl N-[3-[3-methyl-5-(trifluoromethyl)phenyl]prop-2-enyl]carbamate
CID 169472094

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-hydroxy-5-(trifluoromethyl)phenyl]prop-2-enyl]acetamide?
The IUPAC name of N-[3-[3-hydroxy-5-(trifluoromethyl)phenyl]prop-2-enyl]acetamide (CID 169466014) is N-[3-[3-hydroxy-5-(trifluoromethyl)phenyl]prop-2-enyl]acetamide.
What is the SMILES notation for N-[3-[3-hydroxy-5-(trifluoromethyl)phenyl]prop-2-enyl]acetamide?
The canonical SMILES for N-[3-[3-hydroxy-5-(trifluoromethyl)phenyl]prop-2-enyl]acetamide is CC(=O)NCC=Cc1cc(O)cc(C(F)(F)F)c1.
What is the InChIKey of N-[3-[3-hydroxy-5-(trifluoromethyl)phenyl]prop-2-enyl]acetamide?
The InChIKey is TYCAXYHOSZNHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO2/c1-8(17)16-4-2-3-9-5-10(12(13,14)15)7-11(18)6-9/h2-3,5-7,18H,4H2,1H3,(H,16,17).
What are the key properties of N-[3-[3-hydroxy-5-(trifluoromethyl)phenyl]prop-2-enyl]acetamide?
N-[3-[3-hydroxy-5-(trifluoromethyl)phenyl]prop-2-enyl]acetamide has a molecular weight of 259.23 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-hydroxy-5-(trifluoromethyl)phenyl]prop-2-enyl]acetamide is sourced from PubChem (CID 169466014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).