bis(1,1,1,3,3,3-hexafluoropropan-2-yl) (E)-but-2-enedioate

Formula:C10H4O4F12 Mutagenic:none Tumorigenic:none Reproductive Effective:none bis(1,1,1,3,3,3-hexafluoropropan-2-yl) (E)-but-2-enedioate is a drug-like molecule.

MolName	bis(1,1,1,3,3,3-hexafluoropropan-2-yl) (E)-but-2-enedioate
MolecularFormula	C10H4O4F12
Smiles	O=C(/C=C/C(OC(C(F)(F)F)C(F)(F)F)=O)OC(C(F)(F)F)C(F)(F)F
InChI	InChI=1S/C10H4F12O4/c11-7(12,13)5(8(14,15)16)25-3(23)1-2-4(24)26-6(9(17,18)19)10(20,21)22/h1-2,5-6H
InChIK	KOFHHTAACWXRFQ-UHFFFAOYSA-N
TotalMolweight	416.114
Molweight	416.114
MonoisotopicMass	415.991796
CLogP	3.4054
CLogS	-4.818
H Acceptors	4
TotalSurfaceArea	238.34
Relative PSA	0.19334
PolarSurfaceArea	52.6
Druglikeness	-18.535
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.46154
Fragments	1
Non HAtoms	26
NonCHAtoms	16
Electronegative Atoms	16
Rotatable Bond	10
Sp3Atoms	8
Symmetricatoms	19
StereoCon

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