2,3,3,3-tetrafluoro-2-methyl-N-phenyl-N-prop-2-enylpropanamide

C13H13F4NO — CID 118052424

IUPAC2,3,3,3-tetrafluoro-2-methyl-N-phenyl-N-prop-2-enylpropanamide
SMILESC=CCN(C(=O)C(C)(F)C(F)(F)F)c1ccccc1
InChIInChI=1S/C13H13F4NO/c1-3-9-18(10-7-5-4-6-8-10)11(19)12(2,14)13(15,16)17/h3-8H,1,9H2,2H3
InChIKeyHRQJOPUVWLHZHT-UHFFFAOYSA-N
MW275.25 g/mol
LogP3.50
Rot. Bonds4

About 2,3,3,3-tetrafluoro-2-methyl-N-phenyl-N-prop-2-enylpropanamide

2,3,3,3-tetrafluoro-2-methyl-N-phenyl-N-prop-2-enylpropanamide (PubChem CID 118052424) has the molecular formula C13H13F4NO and a molecular weight of 275.25 g/mol. Its IUPAC name is 2,3,3,3-tetrafluoro-2-methyl-N-phenyl-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2,3,3,3-tetrafluoro-2-methyl-N-phenyl-N-prop-2-enylpropanamide
PubChem CID118052424
Molecular FormulaC13H13F4NO
Molecular Weight275.25 g/mol
Exact Mass275.09
IUPAC Name2,3,3,3-tetrafluoro-2-methyl-N-phenyl-N-prop-2-enylpropanamide
SMILESC=CCN(C(=O)C(C)(F)C(F)(F)F)c1ccccc1
InChIInChI=1S/C13H13F4NO/c1-3-9-18(10-7-5-4-6-8-10)11(19)12(2,14)13(15,16)17/h3-8H,1,9H2,2H3
InChIKeyHRQJOPUVWLHZHT-UHFFFAOYSA-N
XLogP3.50
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.25
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trichloro-N-phenyl-N-prop-2-enylacetamide
CID 10901943
2-fluoro-N-phenyl-N-prop-2-enylbenzamide
CID 78795026
2-chloro-N-phenyl-N-prop-2-enylpropanamide
CID 14417035
difluoromethane;N-phenyl-N-prop-2-enylcarbamoyl fluoride;1,1,1,2-tetrafluoroethane;2,2,2-trifluoroethyl hypofluorite
CID 123705655
N-[(E)-but-2-en-2-yl]-N-prop-2-enylaniline
CID 142821122
2-bromo-2,2-difluoro-N-(4-phenylmethoxyphenyl)-N-prop-2-enylacetamide
CID 175519537
N-phenyl-N-prop-2-enylcyclopropanecarboxamide
CID 78836355
N-ethyl-2,2,3,3,3-pentafluoro-N-phenylpropanamide
CID 91710847
N-ethyl-N-phenyl-N',N'-bis(prop-2-enyl)oxamide
CID 108516722
3-methyl-N-phenyl-N-prop-2-enylbenzamide
CID 78794859
N-prop-2-enyl-N-(trifluoromethyl)aniline
CID 19778773
2-nitro-N-phenyl-N-prop-2-enylbenzamide
CID 11482940

Frequently Asked Questions

What is the IUPAC name of 2,3,3,3-tetrafluoro-2-methyl-N-phenyl-N-prop-2-enylpropanamide?
The IUPAC name of 2,3,3,3-tetrafluoro-2-methyl-N-phenyl-N-prop-2-enylpropanamide (CID 118052424) is 2,3,3,3-tetrafluoro-2-methyl-N-phenyl-N-prop-2-enylpropanamide.
What is the SMILES notation for 2,3,3,3-tetrafluoro-2-methyl-N-phenyl-N-prop-2-enylpropanamide?
The canonical SMILES for 2,3,3,3-tetrafluoro-2-methyl-N-phenyl-N-prop-2-enylpropanamide is C=CCN(C(=O)C(C)(F)C(F)(F)F)c1ccccc1.
What is the InChIKey of 2,3,3,3-tetrafluoro-2-methyl-N-phenyl-N-prop-2-enylpropanamide?
The InChIKey is HRQJOPUVWLHZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F4NO/c1-3-9-18(10-7-5-4-6-8-10)11(19)12(2,14)13(15,16)17/h3-8H,1,9H2,2H3.
What are the key properties of 2,3,3,3-tetrafluoro-2-methyl-N-phenyl-N-prop-2-enylpropanamide?
2,3,3,3-tetrafluoro-2-methyl-N-phenyl-N-prop-2-enylpropanamide has a molecular weight of 275.25 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,3-tetrafluoro-2-methyl-N-phenyl-N-prop-2-enylpropanamide is sourced from PubChem (CID 118052424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).