N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2,3,3-tetrafluoropropanamide

C11H9F4NO3 — CID 103731825

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2,3,3-tetrafluoropropanamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)C(F)(F)C(F)F
InChIInChI=1S/C11H9F4NO3/c12-9(13)11(14,15)10(17)16-6-1-2-7-8(5-6)19-4-3-18-7/h1-2,5,9H,3-4H2,(H,16,17)
InChIKeyODRFJFGKUVGIEC-UHFFFAOYSA-N
MW279.19 g/mol
LogP2.30
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2,3,3-tetrafluoropropanamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2,3,3-tetrafluoropropanamide (PubChem CID 103731825) has the molecular formula C11H9F4NO3 and a molecular weight of 279.19 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2,3,3-tetrafluoropropanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2,3,3-tetrafluoropropanamide
PubChem CID103731825
Molecular FormulaC11H9F4NO3
Molecular Weight279.19 g/mol
Exact Mass279.05
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2,3,3-tetrafluoropropanamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)C(F)(F)C(F)F
InChIInChI=1S/C11H9F4NO3/c12-9(13)11(14,15)10(17)16-6-1-2-7-8(5-6)19-4-3-18-7/h1-2,5,9H,3-4H2,(H,16,17)
InChIKeyODRFJFGKUVGIEC-UHFFFAOYSA-N
XLogP2.30
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.19
LogP ≤ 52.30
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

9-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamide
CID 4611862
3-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethylpropanamide;hydrochloride
CID 119669219
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxopropanamide
CID 82127722
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylprop-2-enamide
CID 90480693
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-fluorophenyl)oxamide
CID 44997744
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,N-diethyl-2,2-dimethylpropanediamide
CID 108965769
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-[4-(dimethylamino)phenyl]-2,2-dimethylpropanediamide
CID 108969885
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethyl-N'-(2-methylpropyl)propanediamide
CID 108958122
N-(2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl)acetamide
CID 771593
N-(3-chloro-4-fluorophenyl)-2,2,3,3-tetrafluoropropanamide
CID 113250773
N-(3-chloro-4-hydroxyphenyl)-2,2,3,3-tetrafluoropropanamide
CID 113368357
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-2-(methylamino)propanamide
CID 62834660

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2,3,3-tetrafluoropropanamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2,3,3-tetrafluoropropanamide (CID 103731825) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2,3,3-tetrafluoropropanamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2,3,3-tetrafluoropropanamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2,3,3-tetrafluoropropanamide is O=C(Nc1ccc2c(c1)OCCO2)C(F)(F)C(F)F.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2,3,3-tetrafluoropropanamide?
The InChIKey is ODRFJFGKUVGIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F4NO3/c12-9(13)11(14,15)10(17)16-6-1-2-7-8(5-6)19-4-3-18-7/h1-2,5,9H,3-4H2,(H,16,17).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2,3,3-tetrafluoropropanamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2,3,3-tetrafluoropropanamide has a molecular weight of 279.19 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2,3,3-tetrafluoropropanamide is sourced from PubChem (CID 103731825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).