N-ethyl-2,2,3,3,3-pentafluoro-N-phenylpropanamide

C11H10F5NO — CID 91710847

IUPACN-ethyl-2,2,3,3,3-pentafluoro-N-phenylpropanamide
SMILESCCN(C(=O)C(F)(F)C(F)(F)F)c1ccccc1
InChIInChI=1S/C11H10F5NO/c1-2-17(8-6-4-3-5-7-8)9(18)10(12,13)11(14,15)16/h3-7H,2H2,1H3
InChIKeyFUDALQQESMHLQH-UHFFFAOYSA-N
MW267.20 g/mol
LogP3.24
Rot. Bonds3

About N-ethyl-2,2,3,3,3-pentafluoro-N-phenylpropanamide

N-ethyl-2,2,3,3,3-pentafluoro-N-phenylpropanamide (PubChem CID 91710847) has the molecular formula C11H10F5NO and a molecular weight of 267.20 g/mol. Its IUPAC name is N-ethyl-2,2,3,3,3-pentafluoro-N-phenylpropanamide.

Molecular Properties

Compound NameN-ethyl-2,2,3,3,3-pentafluoro-N-phenylpropanamide
PubChem CID91710847
Molecular FormulaC11H10F5NO
Molecular Weight267.20 g/mol
Exact Mass267.07
IUPAC NameN-ethyl-2,2,3,3,3-pentafluoro-N-phenylpropanamide
SMILESCCN(C(=O)C(F)(F)C(F)(F)F)c1ccccc1
InChIInChI=1S/C11H10F5NO/c1-2-17(8-6-4-3-5-7-8)9(18)10(12,13)11(14,15)16/h3-7H,2H2,1H3
InChIKeyFUDALQQESMHLQH-UHFFFAOYSA-N
XLogP3.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.20
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2,2-dimethyl-N-phenylpropanamide
CID 4127582
N,N'-diethyl-N,N'-diphenylpropanediamide
CID 14847934
N-ethyl-2,3-dihydroxy-N-phenylpropanamide
CID 11195148
N-benzyl-2,2,3,3,3-pentafluoro-N-methylpropanamide
CID 91699922
1-ethyl-1-phenyl-3-[2-(trifluoromethyl)phenyl]urea
CID 108887668
N-ethyl-2-[2-(N-ethylanilino)-2-oxoethoxy]-N-phenylacetamide
CID 52563694
N-ethyl-2,2-dimethyl-N-[4-(trifluoromethyl)phenyl]propanamide
CID 176738854
1,3-diethyl-1,3-diphenylselenourea
CID 134917239
2-amino-N-ethyl-3,3,3-trifluoro-N-(3-hydroxyphenyl)-2-methylpropanamide
CID 107734887
2,3,3,3-tetrafluoro-2-methyl-N-phenyl-N-prop-2-enylpropanamide
CID 118052424
2-bromo-1,1-difluoroethene;N-ethyl-N-phenylacetamide
CID 174953014
2-[ethyl-[ethyl(phenyl)carbamoyl]amino]-2-methylpropanoic acid
CID 62820744

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2,3,3,3-pentafluoro-N-phenylpropanamide?
The IUPAC name of N-ethyl-2,2,3,3,3-pentafluoro-N-phenylpropanamide (CID 91710847) is N-ethyl-2,2,3,3,3-pentafluoro-N-phenylpropanamide.
What is the SMILES notation for N-ethyl-2,2,3,3,3-pentafluoro-N-phenylpropanamide?
The canonical SMILES for N-ethyl-2,2,3,3,3-pentafluoro-N-phenylpropanamide is CCN(C(=O)C(F)(F)C(F)(F)F)c1ccccc1.
What is the InChIKey of N-ethyl-2,2,3,3,3-pentafluoro-N-phenylpropanamide?
The InChIKey is FUDALQQESMHLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F5NO/c1-2-17(8-6-4-3-5-7-8)9(18)10(12,13)11(14,15)16/h3-7H,2H2,1H3.
What are the key properties of N-ethyl-2,2,3,3,3-pentafluoro-N-phenylpropanamide?
N-ethyl-2,2,3,3,3-pentafluoro-N-phenylpropanamide has a molecular weight of 267.20 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2,3,3,3-pentafluoro-N-phenylpropanamide is sourced from PubChem (CID 91710847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).