2-methyl-4-(3,3,3-trifluoroprop-1-enyl)benzamide

C11H10F3NO — CID 74319750

IUPAC2-methyl-4-(3,3,3-trifluoroprop-1-enyl)benzamide
SMILESCc1cc(C=CC(F)(F)F)ccc1C(N)=O
InChIInChI=1S/C11H10F3NO/c1-7-6-8(4-5-11(12,13)14)2-3-9(7)10(15)16/h2-6H,1H3,(H2,15,16)
InChIKeyRDMOBOPIMBATJS-UHFFFAOYSA-N
MW229.20 g/mol
LogP2.67
Rot. Bonds2

About 2-methyl-4-(3,3,3-trifluoroprop-1-enyl)benzamide

2-methyl-4-(3,3,3-trifluoroprop-1-enyl)benzamide (PubChem CID 74319750) has the molecular formula C11H10F3NO and a molecular weight of 229.20 g/mol. Its IUPAC name is 2-methyl-4-(3,3,3-trifluoroprop-1-enyl)benzamide.

Molecular Properties

Compound Name2-methyl-4-(3,3,3-trifluoroprop-1-enyl)benzamide
PubChem CID74319750
Molecular FormulaC11H10F3NO
Molecular Weight229.20 g/mol
Exact Mass229.07
IUPAC Name2-methyl-4-(3,3,3-trifluoroprop-1-enyl)benzamide
SMILESCc1cc(C=CC(F)(F)F)ccc1C(N)=O
InChIInChI=1S/C11H10F3NO/c1-7-6-8(4-5-11(12,13)14)2-3-9(7)10(15)16/h2-6H,1H3,(H2,15,16)
InChIKeyRDMOBOPIMBATJS-UHFFFAOYSA-N
XLogP2.67
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(3,3,3-trifluoroprop-1-enyl)benzamide?
The IUPAC name of 2-methyl-4-(3,3,3-trifluoroprop-1-enyl)benzamide (CID 74319750) is 2-methyl-4-(3,3,3-trifluoroprop-1-enyl)benzamide.
What is the SMILES notation for 2-methyl-4-(3,3,3-trifluoroprop-1-enyl)benzamide?
The canonical SMILES for 2-methyl-4-(3,3,3-trifluoroprop-1-enyl)benzamide is Cc1cc(C=CC(F)(F)F)ccc1C(N)=O.
What is the InChIKey of 2-methyl-4-(3,3,3-trifluoroprop-1-enyl)benzamide?
The InChIKey is RDMOBOPIMBATJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO/c1-7-6-8(4-5-11(12,13)14)2-3-9(7)10(15)16/h2-6H,1H3,(H2,15,16).
What are the key properties of 2-methyl-4-(3,3,3-trifluoroprop-1-enyl)benzamide?
2-methyl-4-(3,3,3-trifluoroprop-1-enyl)benzamide has a molecular weight of 229.20 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(3,3,3-trifluoroprop-1-enyl)benzamide is sourced from PubChem (CID 74319750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).