N-(3,5-dimethoxyphenyl)-2,2,3,3-tetrafluoropropanamide

C11H11F4NO3 — CID 103731911

IUPACN-(3,5-dimethoxyphenyl)-2,2,3,3-tetrafluoropropanamide
SMILESCOc1cc(NC(=O)C(F)(F)C(F)F)cc(OC)c1
InChIInChI=1S/C11H11F4NO3/c1-18-7-3-6(4-8(5-7)19-2)16-10(17)11(14,15)9(12)13/h3-5,9H,1-2H3,(H,16,17)
InChIKeyLAKSEBLHTKRFIM-UHFFFAOYSA-N
MW281.21 g/mol
LogP2.54
Rot. Bonds5

About N-(3,5-dimethoxyphenyl)-2,2,3,3-tetrafluoropropanamide

N-(3,5-dimethoxyphenyl)-2,2,3,3-tetrafluoropropanamide (PubChem CID 103731911) has the molecular formula C11H11F4NO3 and a molecular weight of 281.21 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-2,2,3,3-tetrafluoropropanamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-2,2,3,3-tetrafluoropropanamide
PubChem CID103731911
Molecular FormulaC11H11F4NO3
Molecular Weight281.21 g/mol
Exact Mass281.07
IUPAC NameN-(3,5-dimethoxyphenyl)-2,2,3,3-tetrafluoropropanamide
SMILESCOc1cc(NC(=O)C(F)(F)C(F)F)cc(OC)c1
InChIInChI=1S/C11H11F4NO3/c1-18-7-3-6(4-8(5-7)19-2)16-10(17)11(14,15)9(12)13/h3-5,9H,1-2H3,(H,16,17)
InChIKeyLAKSEBLHTKRFIM-UHFFFAOYSA-N
XLogP2.54
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.21
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3,5-dimethoxyphenyl)-2,2,2-trifluoroacetamide
CID 885871
2,2,3,3-tetrafluoro-N-(3,4,5-trimethoxyphenyl)propanamide
CID 103732227
N-(2-chloro-5-methoxyphenyl)-2,2,3,3-tetrafluoropropanamide
CID 103733277
N-(3,5-dimethoxyphenyl)-2-hydroxy-2-methylpropanamide
CID 104936417
N-(2-bromo-5-methoxyphenyl)-2,2,3,3-tetrafluoropropanamide
CID 113250998
N-(3-amino-4-methoxyphenyl)-2,2,3,3-tetrafluoropropanamide;hydrochloride
CID 119419546
N-(3,5-dimethoxyphenyl)acetamide
CID 702039
2,2,3,3-tetrafluoro-N-(4-fluorophenyl)propanamide
CID 103731851
3-chloro-N-(3,5-dimethoxyphenyl)-2,2-dimethylpropanamide
CID 2764507
2,2,3,3-tetrafluoro-N-[4-[(2-methoxyacetyl)amino]phenyl]propanamide
CID 103732513
2,2,3,3,4,4,5,5-octafluoro-N-(3-methoxyphenyl)pentanamide
CID 4521751
1-(2,6-difluoro-4-methoxyphenyl)-2,2,3,3-tetrafluoropropan-1-one
CID 114032797

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-2,2,3,3-tetrafluoropropanamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-2,2,3,3-tetrafluoropropanamide (CID 103731911) is N-(3,5-dimethoxyphenyl)-2,2,3,3-tetrafluoropropanamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-2,2,3,3-tetrafluoropropanamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-2,2,3,3-tetrafluoropropanamide is COc1cc(NC(=O)C(F)(F)C(F)F)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-2,2,3,3-tetrafluoropropanamide?
The InChIKey is LAKSEBLHTKRFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F4NO3/c1-18-7-3-6(4-8(5-7)19-2)16-10(17)11(14,15)9(12)13/h3-5,9H,1-2H3,(H,16,17).
What are the key properties of N-(3,5-dimethoxyphenyl)-2,2,3,3-tetrafluoropropanamide?
N-(3,5-dimethoxyphenyl)-2,2,3,3-tetrafluoropropanamide has a molecular weight of 281.21 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-2,2,3,3-tetrafluoropropanamide is sourced from PubChem (CID 103731911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).