N-(4-ethylphenyl)-2,2,3,3-tetrafluoropropanamide

C11H11F4NO — CID 103731916

IUPACN-(4-ethylphenyl)-2,2,3,3-tetrafluoropropanamide
SMILESCCc1ccc(NC(=O)C(F)(F)C(F)F)cc1
InChIInChI=1S/C11H11F4NO/c1-2-7-3-5-8(6-4-7)16-10(17)11(14,15)9(12)13/h3-6,9H,2H2,1H3,(H,16,17)
InChIKeyXWDBRBZSOJHLOV-UHFFFAOYSA-N
MW249.21 g/mol
LogP3.09
Rot. Bonds4

About N-(4-ethylphenyl)-2,2,3,3-tetrafluoropropanamide

N-(4-ethylphenyl)-2,2,3,3-tetrafluoropropanamide (PubChem CID 103731916) has the molecular formula C11H11F4NO and a molecular weight of 249.21 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2,2,3,3-tetrafluoropropanamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2,2,3,3-tetrafluoropropanamide
PubChem CID103731916
Molecular FormulaC11H11F4NO
Molecular Weight249.21 g/mol
Exact Mass249.08
IUPAC NameN-(4-ethylphenyl)-2,2,3,3-tetrafluoropropanamide
SMILESCCc1ccc(NC(=O)C(F)(F)C(F)F)cc1
InChIInChI=1S/C11H11F4NO/c1-2-7-3-5-8(6-4-7)16-10(17)11(14,15)9(12)13/h3-6,9H,2H2,1H3,(H,16,17)
InChIKeyXWDBRBZSOJHLOV-UHFFFAOYSA-N
XLogP3.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.21
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetamidophenyl)-2,2,3,3-tetrafluoropropanamide
CID 103731824
2,2,3,3-tetrafluoro-N-(4-fluorophenyl)propanamide
CID 103731851
N-(4-ethylphenyl)-2,2,3,3,4,4,4-heptafluorobutanamide
CID 3604613
2,2,3,3-tetrafluoro-N-[4-[(2-methoxyacetyl)amino]phenyl]propanamide
CID 103732513
4-(2,2,3,3-tetrafluoropropanoylamino)benzenesulfonyl chloride
CID 114032743
1-(4-ethylphenyl)-3-methylurea
CID 54250791
ethane;1-(4-ethylphenyl)-3-methylurea
CID 143679761
2,2,3,3-tetrafluoro-N-[2-methyl-5-(propanoylamino)phenyl]propanamide
CID 103732850
N-(3-chloro-4-hydroxyphenyl)-2,2,3,3-tetrafluoropropanamide
CID 113368357
2,2,2-trifluoro-N-[4-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]phenyl]acetamide
CID 3688505
2,2,3,3-tetrafluoro-N-[6-(2-methoxyethoxy)-3-pyridinyl]propanamide
CID 103732741
1-(4-tert-butylphenyl)-3-(4-ethylphenyl)urea
CID 58441349

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2,2,3,3-tetrafluoropropanamide?
The IUPAC name of N-(4-ethylphenyl)-2,2,3,3-tetrafluoropropanamide (CID 103731916) is N-(4-ethylphenyl)-2,2,3,3-tetrafluoropropanamide.
What is the SMILES notation for N-(4-ethylphenyl)-2,2,3,3-tetrafluoropropanamide?
The canonical SMILES for N-(4-ethylphenyl)-2,2,3,3-tetrafluoropropanamide is CCc1ccc(NC(=O)C(F)(F)C(F)F)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2,2,3,3-tetrafluoropropanamide?
The InChIKey is XWDBRBZSOJHLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F4NO/c1-2-7-3-5-8(6-4-7)16-10(17)11(14,15)9(12)13/h3-6,9H,2H2,1H3,(H,16,17).
What are the key properties of N-(4-ethylphenyl)-2,2,3,3-tetrafluoropropanamide?
N-(4-ethylphenyl)-2,2,3,3-tetrafluoropropanamide has a molecular weight of 249.21 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2,2,3,3-tetrafluoropropanamide is sourced from PubChem (CID 103731916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).