2,2,3,3-tetrafluoro-N-[(4-methylphenyl)methyl]propanamide

C11H11F4NO — CID 103731962

IUPAC2,2,3,3-tetrafluoro-N-[(4-methylphenyl)methyl]propanamide
SMILESCc1ccc(CNC(=O)C(F)(F)C(F)F)cc1
InChIInChI=1S/C11H11F4NO/c1-7-2-4-8(5-3-7)6-16-10(17)11(14,15)9(12)13/h2-5,9H,6H2,1H3,(H,16,17)
InChIKeyUKTGLFAVNUBKPI-UHFFFAOYSA-N
MW249.21 g/mol
LogP2.51
Rot. Bonds4

About 2,2,3,3-tetrafluoro-N-[(4-methylphenyl)methyl]propanamide

2,2,3,3-tetrafluoro-N-[(4-methylphenyl)methyl]propanamide (PubChem CID 103731962) has the molecular formula C11H11F4NO and a molecular weight of 249.21 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-[(4-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-[(4-methylphenyl)methyl]propanamide
PubChem CID103731962
Molecular FormulaC11H11F4NO
Molecular Weight249.21 g/mol
Exact Mass249.08
IUPAC Name2,2,3,3-tetrafluoro-N-[(4-methylphenyl)methyl]propanamide
SMILESCc1ccc(CNC(=O)C(F)(F)C(F)F)cc1
InChIInChI=1S/C11H11F4NO/c1-7-2-4-8(5-3-7)6-16-10(17)11(14,15)9(12)13/h2-5,9H,6H2,1H3,(H,16,17)
InChIKeyUKTGLFAVNUBKPI-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
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

2-amino-3,3,3-trifluoro-2-methyl-N-[(4-methylphenyl)methyl]propanamide
CID 79796775
N-[(3-chloro-4-fluorophenyl)methyl]-2,2,3,3-tetrafluoropropanamide
CID 103733439
N,N'-bis[(4-methylphenyl)methyl]oxamide
CID 3116969
2-(ethylamino)-2-methyl-N-[(4-methylphenyl)methyl]propanamide
CID 62831732
N-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)methylamino]-2,2-diphenylacetamide
CID 5153157
2,2-dimethyl-N-[(4-methylphenyl)methyl]-N'-(pyridin-4-ylmethyl)propanediamide
CID 108961964
2-(4-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 27052812
2,2-dichloro-N-[(4-methylphenyl)methyl]acetamide
CID 3659173
4-[[[2-methyl-2-(4-methylphenyl)propanoyl]amino]methyl]benzoic acid
CID 119165621
3,3,3-trifluoro-2-methyl-2-[(4-methylphenyl)methylamino]propanoic acid
CID 79789915
N-(4-ethylphenyl)-2,2,3,3-tetrafluoropropanamide
CID 103731916
N-ethyl-N'-[(4-methylphenyl)methyl]oxamide
CID 2291435

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N-[(4-methylphenyl)methyl]propanamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N-[(4-methylphenyl)methyl]propanamide (CID 103731962) is 2,2,3,3-tetrafluoro-N-[(4-methylphenyl)methyl]propanamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-[(4-methylphenyl)methyl]propanamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-[(4-methylphenyl)methyl]propanamide is Cc1ccc(CNC(=O)C(F)(F)C(F)F)cc1.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-[(4-methylphenyl)methyl]propanamide?
The InChIKey is UKTGLFAVNUBKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F4NO/c1-7-2-4-8(5-3-7)6-16-10(17)11(14,15)9(12)13/h2-5,9H,6H2,1H3,(H,16,17).
What are the key properties of 2,2,3,3-tetrafluoro-N-[(4-methylphenyl)methyl]propanamide?
2,2,3,3-tetrafluoro-N-[(4-methylphenyl)methyl]propanamide has a molecular weight of 249.21 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N-[(4-methylphenyl)methyl]propanamide is sourced from PubChem (CID 103731962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).