C12H11NO4F4 | Cheminformatics

2-(4-fluorophenoxy)-N-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]acetamide

Formula:C12H11NO4F4 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-(4-fluorophenoxy)-N-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]acetamide is a drug-like molecule.

MolName2-(4-fluorophenoxy)-N-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]acetamide
MolecularFormulaC12H11NO4F4
SmilesO=C(COc(cc1)ccc1F)NC1(C(F)(F)F)OCCO1
InChIInChI=1S/C12H11F4NO4/c13-8-1-3-9(4-2-8)19-7-10(18)17-12(11(14,15)16)20-5-6-21-12/h1-4H,5-7H2,(H,17,18)
InChIKCLVRAIMQOPWTCB-UHFFFAOYSA-N
TotalMolweight309.214
Molweight309.214
MonoisotopicMass309.062421
CLogP2.1277
CLogS-2.658
H Acceptors5
H Donors1
TotalSurfaceArea206.47
Relative PSA0.26396
PolarSurfaceArea56.79
Druglikeness-13.808
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.57143
Fragments1
Non HAtoms21
NonCHAtoms9
Electronegative Atoms9
Rotatable Bond5
Rings Closures2
Small Rings2
Aromatic Rings1
Aromatic Atoms6
Sp3Atoms8
Symmetricatoms6
Amides1
StereoCon

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