4-(3,3,3-trifluoroprop-1-en-2-yl)benzamide

C10H8F3NO — CID 22727593

IUPAC4-(3,3,3-trifluoroprop-1-en-2-yl)benzamide
SMILESC=C(c1ccc(C(N)=O)cc1)C(F)(F)F
InChIInChI=1S/C10H8F3NO/c1-6(10(11,12)13)7-2-4-8(5-3-7)9(14)15/h2-5H,1H2,(H2,14,15)
InChIKeyCRXIVZSOSYZUCC-UHFFFAOYSA-N
MW215.17 g/mol
LogP2.36
Rot. Bonds2

About 4-(3,3,3-trifluoroprop-1-en-2-yl)benzamide

4-(3,3,3-trifluoroprop-1-en-2-yl)benzamide (PubChem CID 22727593) has the molecular formula C10H8F3NO and a molecular weight of 215.17 g/mol. Its IUPAC name is 4-(3,3,3-trifluoroprop-1-en-2-yl)benzamide.

Molecular Properties

Compound Name4-(3,3,3-trifluoroprop-1-en-2-yl)benzamide
PubChem CID22727593
Molecular FormulaC10H8F3NO
Molecular Weight215.17 g/mol
Exact Mass215.06
IUPAC Name4-(3,3,3-trifluoroprop-1-en-2-yl)benzamide
SMILESC=C(c1ccc(C(N)=O)cc1)C(F)(F)F
InChIInChI=1S/C10H8F3NO/c1-6(10(11,12)13)7-2-4-8(5-3-7)9(14)15/h2-5H,1H2,(H2,14,15)
InChIKeyCRXIVZSOSYZUCC-UHFFFAOYSA-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

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Related Compounds

Benzamide
CID 2331
Phthalamide
CID 6956
2,6-Difluorobenzamide
CID 87439
2-Trifluoromethylbenzamide
CID 67759
4-Fluorobenzamide
CID 71572
4-Methylbenzamide
CID 69274
2-Methylbenzamide
CID 10704
2-Fluorobenzamide
CID 67964
4-Iodobenzamide
CID 77561
Terephthalamide
CID 76381
m-Toluamide
CID 69253
p-(tert-Butyl)benzamide
CID 92014

Frequently Asked Questions

What is the IUPAC name of 4-(3,3,3-trifluoroprop-1-en-2-yl)benzamide?
The IUPAC name of 4-(3,3,3-trifluoroprop-1-en-2-yl)benzamide (CID 22727593) is 4-(3,3,3-trifluoroprop-1-en-2-yl)benzamide.
What is the SMILES notation for 4-(3,3,3-trifluoroprop-1-en-2-yl)benzamide?
The canonical SMILES for 4-(3,3,3-trifluoroprop-1-en-2-yl)benzamide is C=C(c1ccc(C(N)=O)cc1)C(F)(F)F.
What is the InChIKey of 4-(3,3,3-trifluoroprop-1-en-2-yl)benzamide?
The InChIKey is CRXIVZSOSYZUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3NO/c1-6(10(11,12)13)7-2-4-8(5-3-7)9(14)15/h2-5H,1H2,(H2,14,15).
What are the key properties of 4-(3,3,3-trifluoroprop-1-en-2-yl)benzamide?
4-(3,3,3-trifluoroprop-1-en-2-yl)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 4-(3,3,3-trifluoroprop-1-en-2-yl)benzamide is sourced from PubChem (CID 22727593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).