N-(2-chloro-4,6-dimethylphenyl)-2,2,3,3-tetrafluoropropanamide

C11H10ClF4NO — CID 113251859

IUPACN-(2-chloro-4,6-dimethylphenyl)-2,2,3,3-tetrafluoropropanamide
SMILESCc1cc(C)c(NC(=O)C(F)(F)C(F)F)c(Cl)c1
InChIInChI=1S/C11H10ClF4NO/c1-5-3-6(2)8(7(12)4-5)17-10(18)11(15,16)9(13)14/h3-4,9H,1-2H3,(H,17,18)
InChIKeySVLXDCYTKZZPFN-UHFFFAOYSA-N
MW283.65 g/mol
LogP3.80
Rot. Bonds3

About N-(2-chloro-4,6-dimethylphenyl)-2,2,3,3-tetrafluoropropanamide

N-(2-chloro-4,6-dimethylphenyl)-2,2,3,3-tetrafluoropropanamide (PubChem CID 113251859) has the molecular formula C11H10ClF4NO and a molecular weight of 283.65 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-2,2,3,3-tetrafluoropropanamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-2,2,3,3-tetrafluoropropanamide
PubChem CID113251859
Molecular FormulaC11H10ClF4NO
Molecular Weight283.65 g/mol
Exact Mass283.04
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-2,2,3,3-tetrafluoropropanamide
SMILESCc1cc(C)c(NC(=O)C(F)(F)C(F)F)c(Cl)c1
InChIInChI=1S/C11H10ClF4NO/c1-5-3-6(2)8(7(12)4-5)17-10(18)11(15,16)9(13)14/h3-4,9H,1-2H3,(H,17,18)
InChIKeySVLXDCYTKZZPFN-UHFFFAOYSA-N
XLogP3.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.65
LogP ≤ 53.80
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-(2,6-dibromo-4-methylphenyl)-2,2,3,3-tetrafluoropropanamide
CID 114033268
N-(2-chloro-4,6-difluorophenyl)-2,2,3,3-tetrafluoropropanamide
CID 103878394
N-(2-chloro-5-methylphenyl)-2,2,3,3-tetrafluoropropanamide
CID 103769557
N-(6-chloro-8-methylquinolin-5-yl)-2,2,3,3-tetrafluoropropanamide
CID 103737695
2-chloro-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 2110931
N'-tert-butyl-N-(2-chloro-4,6-dimethylphenyl)oxamide
CID 108506923
N-(2-chloro-4,6-dimethylphenyl)-N'-cyclopropyl-2,2-dimethylpropanediamide
CID 108957492
2-bromo-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 81223490
N-(2-chloro-4,6-dimethylphenyl)-2-(methylamino)acetamide
CID 83537406
1-(1-adamantyl)-3-(2-chloro-4,6-dimethylphenyl)urea
CID 108896066
4-(2-chloro-4,6-dimethylanilino)-4-oxobut-2-enoic acid
CID 1238732
1-(2-chloro-4,6-dimethylphenyl)-3-[(E)-2,3-dimethylbut-1-enyl]urea
CID 108914830

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-2,2,3,3-tetrafluoropropanamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-2,2,3,3-tetrafluoropropanamide (CID 113251859) is N-(2-chloro-4,6-dimethylphenyl)-2,2,3,3-tetrafluoropropanamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-2,2,3,3-tetrafluoropropanamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-2,2,3,3-tetrafluoropropanamide is Cc1cc(C)c(NC(=O)C(F)(F)C(F)F)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-2,2,3,3-tetrafluoropropanamide?
The InChIKey is SVLXDCYTKZZPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF4NO/c1-5-3-6(2)8(7(12)4-5)17-10(18)11(15,16)9(13)14/h3-4,9H,1-2H3,(H,17,18).
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-2,2,3,3-tetrafluoropropanamide?
N-(2-chloro-4,6-dimethylphenyl)-2,2,3,3-tetrafluoropropanamide has a molecular weight of 283.65 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-2,2,3,3-tetrafluoropropanamide is sourced from PubChem (CID 113251859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).