3-(3-methoxyprop-1-enyl)-5-(trifluoromethyl)benzamide

C12H12F3NO2 — CID 68795356

IUPAC3-(3-methoxyprop-1-enyl)-5-(trifluoromethyl)benzamide
SMILESCOCC=Cc1cc(C(N)=O)cc(C(F)(F)F)c1
InChIInChI=1S/C12H12F3NO2/c1-18-4-2-3-8-5-9(11(16)17)7-10(6-8)12(13,14)15/h2-3,5-7H,4H2,1H3,(H2,16,17)
InChIKeyGDXZLUGFCNNRCY-UHFFFAOYSA-N
MW259.23 g/mol
LogP2.46
Rot. Bonds4

About 3-(3-methoxyprop-1-enyl)-5-(trifluoromethyl)benzamide

3-(3-methoxyprop-1-enyl)-5-(trifluoromethyl)benzamide (PubChem CID 68795356) has the molecular formula C12H12F3NO2 and a molecular weight of 259.23 g/mol. Its IUPAC name is 3-(3-methoxyprop-1-enyl)-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-(3-methoxyprop-1-enyl)-5-(trifluoromethyl)benzamide
PubChem CID68795356
Molecular FormulaC12H12F3NO2
Molecular Weight259.23 g/mol
Exact Mass259.08
IUPAC Name3-(3-methoxyprop-1-enyl)-5-(trifluoromethyl)benzamide
SMILESCOCC=Cc1cc(C(N)=O)cc(C(F)(F)F)c1
InChIInChI=1S/C12H12F3NO2/c1-18-4-2-3-8-5-9(11(16)17)7-10(6-8)12(13,14)15/h2-3,5-7H,4H2,1H3,(H2,16,17)
InChIKeyGDXZLUGFCNNRCY-UHFFFAOYSA-N
XLogP2.46
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.23
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyprop-1-enyl)-5-(trifluoromethyl)benzamide?
The IUPAC name of 3-(3-methoxyprop-1-enyl)-5-(trifluoromethyl)benzamide (CID 68795356) is 3-(3-methoxyprop-1-enyl)-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-(3-methoxyprop-1-enyl)-5-(trifluoromethyl)benzamide?
The canonical SMILES for 3-(3-methoxyprop-1-enyl)-5-(trifluoromethyl)benzamide is COCC=Cc1cc(C(N)=O)cc(C(F)(F)F)c1.
What is the InChIKey of 3-(3-methoxyprop-1-enyl)-5-(trifluoromethyl)benzamide?
The InChIKey is GDXZLUGFCNNRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO2/c1-18-4-2-3-8-5-9(11(16)17)7-10(6-8)12(13,14)15/h2-3,5-7H,4H2,1H3,(H2,16,17).
What are the key properties of 3-(3-methoxyprop-1-enyl)-5-(trifluoromethyl)benzamide?
3-(3-methoxyprop-1-enyl)-5-(trifluoromethyl)benzamide has a molecular weight of 259.23 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyprop-1-enyl)-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 68795356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).