2-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide

C10H8F3NO — CID 69287667

IUPAC2-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide
SMILESNC(=O)c1ccccc1/C=C/C(F)(F)F
InChIInChI=1S/C10H8F3NO/c11-10(12,13)6-5-7-3-1-2-4-8(7)9(14)15/h1-6H,(H2,14,15)/b6-5+
InChIKeyDXXRKFXEDREVNL-AATRIKPKSA-N
MW215.17 g/mol
LogP2.36
Rot. Bonds2

About 2-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide

2-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide (PubChem CID 69287667) has the molecular formula C10H8F3NO and a molecular weight of 215.17 g/mol. Its IUPAC name is 2-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide.

Molecular Properties

Compound Name2-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide
PubChem CID69287667
Molecular FormulaC10H8F3NO
Molecular Weight215.17 g/mol
Exact Mass215.06
IUPAC Name2-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide
SMILESNC(=O)c1ccccc1/C=C/C(F)(F)F
InChIInChI=1S/C10H8F3NO/c11-10(12,13)6-5-7-3-1-2-4-8(7)9(14)15/h1-6H,(H2,14,15)/b6-5+
InChIKeyDXXRKFXEDREVNL-AATRIKPKSA-N
XLogP2.36
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.17
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(E)-3,3,3-trifluoroprop-1-enyl]benzoic acid
CID 125476108
2-(2-cyanoethenyl)benzamide
CID 131884772
3-ethenyl-2-(trifluoromethyl)benzamide
CID 142796144
2-[2-(6-carbamoylcyclohexa-2,4-dien-1-yl)ethenyl]benzamide
CID 91202265
2-(2,2-dibromoethenyl)benzamide
CID 10470333
1-chloro-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene
CID 12700740
2-methyl-4-(3,3,3-trifluoroprop-1-enyl)benzamide
CID 74319750
1-(3,3,3-trifluoroprop-1-enyl)-2-[2-(3,3,3-trifluoroprop-1-enyl)phenyl]sulfinylbenzene
CID 173411062
2-methanimidoylbenzamide
CID 123272130
benzene-1,2-dicarboxamide;hydrazine
CID 158131121
CID 67588186
CID 67588186
methyl 4-(2-carbamoylphenyl)but-3-enoate
CID 170501975

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide?
The IUPAC name of 2-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide (CID 69287667) is 2-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide.
What is the SMILES notation for 2-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide?
The canonical SMILES for 2-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide is NC(=O)c1ccccc1/C=C/C(F)(F)F.
What is the InChIKey of 2-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide?
The InChIKey is DXXRKFXEDREVNL-AATRIKPKSA-N. The full InChI is InChI=1S/C10H8F3NO/c11-10(12,13)6-5-7-3-1-2-4-8(7)9(14)15/h1-6H,(H2,14,15)/b6-5+.
What are the key properties of 2-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide?
2-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide has a molecular weight of 215.17 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide is sourced from PubChem (CID 69287667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).