3,4,5-trifluoro-N-pent-4-en-2-ylbenzamide

C12H12F3NO — CID 115631311

IUPAC3,4,5-trifluoro-N-pent-4-en-2-ylbenzamide
SMILESC=CCC(C)NC(=O)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C12H12F3NO/c1-3-4-7(2)16-12(17)8-5-9(13)11(15)10(14)6-8/h3,5-7H,1,4H2,2H3,(H,16,17)
InChIKeyVMSKXFGPPSMVIC-UHFFFAOYSA-N
MW243.23 g/mol
LogP2.80
Rot. Bonds4

About 3,4,5-trifluoro-N-pent-4-en-2-ylbenzamide

3,4,5-trifluoro-N-pent-4-en-2-ylbenzamide (PubChem CID 115631311) has the molecular formula C12H12F3NO and a molecular weight of 243.23 g/mol. Its IUPAC name is 3,4,5-trifluoro-N-pent-4-en-2-ylbenzamide.

Molecular Properties

Compound Name3,4,5-trifluoro-N-pent-4-en-2-ylbenzamide
PubChem CID115631311
Molecular FormulaC12H12F3NO
Molecular Weight243.23 g/mol
Exact Mass243.09
IUPAC Name3,4,5-trifluoro-N-pent-4-en-2-ylbenzamide
SMILESC=CCC(C)NC(=O)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C12H12F3NO/c1-3-4-7(2)16-12(17)8-5-9(13)11(15)10(14)6-8/h3,5-7H,1,4H2,2H3,(H,16,17)
InChIKeyVMSKXFGPPSMVIC-UHFFFAOYSA-N
XLogP2.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3,5-dihydroxy-N-pent-4-en-2-ylbenzamide
CID 104939027
4-fluoro-N-pent-4-en-2-ylbenzamide
CID 115631330
4-fluoro-N-pent-4-en-2-yl-3-sulfanylbenzamide
CID 107035149
N-(4-bromopentan-2-yl)-3,4,5-trifluorobenzamide
CID 113376787
3,4,5-trifluoro-N-propan-2-ylbenzamide
CID 63187718
N-(4-ethylsulfanylbutan-2-yl)-3,4,5-trifluorobenzamide
CID 113245328
2-fluoro-N-pent-4-en-2-ylpyridine-4-carboxamide
CID 115631310
4-bromo-2-fluoro-N-pent-4-en-2-ylbenzamide
CID 115631325
3-hydroxy-4-methyl-N-pent-4-en-2-ylbenzamide
CID 115993829
3-hydroxy-4-iodo-N-pent-4-en-2-ylbenzamide
CID 104628600
N-(1-chloro-3-methylbutan-2-yl)-3,4,5-trifluorobenzamide
CID 113273517
3-fluoro-4-(pent-4-en-2-ylcarbamoyl)benzenesulfonyl chloride
CID 113467227

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trifluoro-N-pent-4-en-2-ylbenzamide?
The IUPAC name of 3,4,5-trifluoro-N-pent-4-en-2-ylbenzamide (CID 115631311) is 3,4,5-trifluoro-N-pent-4-en-2-ylbenzamide.
What is the SMILES notation for 3,4,5-trifluoro-N-pent-4-en-2-ylbenzamide?
The canonical SMILES for 3,4,5-trifluoro-N-pent-4-en-2-ylbenzamide is C=CCC(C)NC(=O)c1cc(F)c(F)c(F)c1.
What is the InChIKey of 3,4,5-trifluoro-N-pent-4-en-2-ylbenzamide?
The InChIKey is VMSKXFGPPSMVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO/c1-3-4-7(2)16-12(17)8-5-9(13)11(15)10(14)6-8/h3,5-7H,1,4H2,2H3,(H,16,17).
What are the key properties of 3,4,5-trifluoro-N-pent-4-en-2-ylbenzamide?
3,4,5-trifluoro-N-pent-4-en-2-ylbenzamide has a molecular weight of 243.23 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trifluoro-N-pent-4-en-2-ylbenzamide is sourced from PubChem (CID 115631311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).