1-(3-chloro-2-pyridinyl)-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(2-fluorophenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(3-fluorophenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(2-methoxyphenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(3-methoxyphenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione;bis(1-(4-methylphenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione);1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione

C167H110ClF44NO38 — CID 158319799

IUPAC1-(3-chloro-2-pyridinyl)-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(2-fluorophenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(3-fluorophenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(2-methoxyphenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(3-methoxyphenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione;bis(1-(4-methylphenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione);1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione
SMILESCOc1cccc(C(=O)CCC(=O)c2ccc3c(c2)OC(F)(F)C(F)(F)O3)c1.COc1ccccc1C(=O)CCC(=O)c1ccc2c(c1)OC(F)(F)C(F)(F)O2.Cc1ccc(C(=O)CCC(=O)c2ccc3c(c2)OC(F)(F)C(F)(F)O3)cc1.Cc1ccc(C(=O)CCC(=O)c2ccc3c(c2)OC(F)(F)C(F)(F)O3)cc1.O=C(CCC(=O)c1ccc2c(c1)OC(F)(F)C(F)(F)O2)c1cccc(C(F)(F)F)c1.O=C(CCC(=O)c1ccc2c(c1)OC(F)(F)C(F)(F)O2)c1cccc(F)c1.O=C(CCC(=O)c1ccccc1C(F)(F)F)c1ccc2c(c1)OC(F)(F)C(F)(F)O2.O=C(CCC(=O)c1ccccc1F)c1ccc2c(c1)OC(F)(F)C(F)(F)O2.O=C(CCC(=O)c1ncccc1Cl)c1ccc2c(c1)OC(F)(F)C(F)(F)O2
InChIInChI=1S/2C19H11F7O4.2C19H14F4O5.2C19H14F4O4.2C18H11F5O4.C17H10ClF4NO4/c20-17(21,22)12-3-1-2-10(8-12)13(27)5-6-14(28)11-4-7-15-16(9-11)30-19(25,26)18(23,24)29-15;20-17(21,22)12-4-2-1-3-11(12)14(28)7-6-13(27)10-5-8-15-16(9-10)30-19(25,26)18(23,24)29-15;1-26-13-4-2-3-11(9-13)14(24)6-7-15(25)12-5-8-16-17(10-12)28-19(22,23)18(20,21)27-16;1-26-15-5-3-2-4-12(15)14(25)8-7-13(24)11-6-9-16-17(10-11)28-19(22,23)18(20,21)27-16;2*1-11-2-4-12(5-3-11)14(24)7-8-15(25)13-6-9-16-17(10-13)27-19(22,23)18(20,21)26-16;19-12-3-1-2-10(8-12)13(24)5-6-14(25)11-4-7-15-16(9-11)27-18(22,23)17(20,21)26-15;19-12-4-2-1-3-11(12)14(25)7-6-13(24)10-5-8-15-16(9-10)27-18(22,23)17(20,21)26-15;18-10-2-1-7-23-15(10)12(25)5-4-11(24)9-3-6-13-14(8-9)27-17(21,22)16(19,20)26-13/h1-4,7-9H,5-6H2;1-5,8-9H,6-7H2;2-5,8-10H,6-7H2,1H3;2-6,9-10H,7-8H2,1H3;2*2-6,9-10H,7-8H2,1H3;1-4,7-9H,5-6H2;1-5,8-9H,6-7H2;1-3,6-8H,4-5H2
InChIKeyGORZBSOKAGHKOP-UHFFFAOYSA-N
MW3610.05 g/mol
LogP43.40
Rot. Bonds47

About 1-(3-chloro-2-pyridinyl)-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(2-fluorophenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(3-fluorophenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(2-methoxyphenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(3-methoxyphenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione;bis(1-(4-methylphenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione);1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione

1-(3-chloro-2-pyridinyl)-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(2-fluorophenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(3-fluorophenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(2-methoxyphenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(3-methoxyphenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione;bis(1-(4-methylphenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione);1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione (PubChem CID 158319799) has the molecular formula C167H110ClF44NO38 and a molecular weight of 3610.05 g/mol. Its IUPAC name is 1-(3-chloro-2-pyridinyl)-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(2-fluorophenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(3-fluorophenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(2-methoxyphenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(3-methoxyphenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione;bis(1-(4-methylphenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione);1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione.

Molecular Properties

Compound Name1-(3-chloro-2-pyridinyl)-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(2-fluorophenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(3-fluorophenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(2-methoxyphenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(3-methoxyphenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione;bis(1-(4-methylphenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione);1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione
PubChem CID158319799
Molecular FormulaC167H110ClF44NO38
Molecular Weight3610.05 g/mol
Exact Mass3607.57
IUPAC Name1-(3-chloro-2-pyridinyl)-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(2-fluorophenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(3-fluorophenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(2-methoxyphenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(3-methoxyphenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione;bis(1-(4-methylphenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione);1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione
SMILESCOc1cccc(C(=O)CCC(=O)c2ccc3c(c2)OC(F)(F)C(F)(F)O3)c1.COc1ccccc1C(=O)CCC(=O)c1ccc2c(c1)OC(F)(F)C(F)(F)O2.Cc1ccc(C(=O)CCC(=O)c2ccc3c(c2)OC(F)(F)C(F)(F)O3)cc1.Cc1ccc(C(=O)CCC(=O)c2ccc3c(c2)OC(F)(F)C(F)(F)O3)cc1.O=C(CCC(=O)c1ccc2c(c1)OC(F)(F)C(F)(F)O2)c1cccc(C(F)(F)F)c1.O=C(CCC(=O)c1ccc2c(c1)OC(F)(F)C(F)(F)O2)c1cccc(F)c1.O=C(CCC(=O)c1ccccc1C(F)(F)F)c1ccc2c(c1)OC(F)(F)C(F)(F)O2.O=C(CCC(=O)c1ccccc1F)c1ccc2c(c1)OC(F)(F)C(F)(F)O2.O=C(CCC(=O)c1ncccc1Cl)c1ccc2c(c1)OC(F)(F)C(F)(F)O2
InChIInChI=1S/2C19H11F7O4.2C19H14F4O5.2C19H14F4O4.2C18H11F5O4.C17H10ClF4NO4/c20-17(21,22)12-3-1-2-10(8-12)13(27)5-6-14(28)11-4-7-15-16(9-11)30-19(25,26)18(23,24)29-15;20-17(21,22)12-4-2-1-3-11(12)14(28)7-6-13(27)10-5-8-15-16(9-10)30-19(25,26)18(23,24)29-15;1-26-13-4-2-3-11(9-13)14(24)6-7-15(25)12-5-8-16-17(10-12)28-19(22,23)18(20,21)27-16;1-26-15-5-3-2-4-12(15)14(25)8-7-13(24)11-6-9-16-17(10-11)28-19(22,23)18(20,21)27-16;2*1-11-2-4-12(5-3-11)14(24)7-8-15(25)13-6-9-16-17(10-13)27-19(22,23)18(20,21)26-16;19-12-3-1-2-10(8-12)13(24)5-6-14(25)11-4-7-15-16(9-11)27-18(22,23)17(20,21)26-15;19-12-4-2-1-3-11(12)14(25)7-6-13(24)10-5-8-15-16(9-10)27-18(22,23)17(20,21)26-15;18-10-2-1-7-23-15(10)12(25)5-4-11(24)9-3-6-13-14(8-9)27-17(21,22)16(19,20)26-13/h1-4,7-9H,5-6H2;1-5,8-9H,6-7H2;2-5,8-10H,6-7H2,1H3;2-6,9-10H,7-8H2,1H3;2*2-6,9-10H,7-8H2,1H3;1-4,7-9H,5-6H2;1-5,8-9H,6-7H2;1-3,6-8H,4-5H2
InChIKeyGORZBSOKAGHKOP-UHFFFAOYSA-N
XLogP43.40
TPSA504.75 Ų
H-Bond Donors
H-Bond Acceptors39
Rotatable Bonds47
Heavy Atoms251
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003610.05
LogP ≤ 543.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

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

Analyze 1-(3-chloro-2-pyridinyl)-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(2-fluorophenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(3-fluorophenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(2-methoxyphenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(3-methoxyphenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione;bis(1-(4-methylphenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione);1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-pyridinyl)-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(2-fluorophenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(3-fluorophenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(2-methoxyphenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(3-methoxyphenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione;bis(1-(4-methylphenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione);1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione?
The IUPAC name of 1-(3-chloro-2-pyridinyl)-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(2-fluorophenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(3-fluorophenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(2-methoxyphenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(3-methoxyphenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione;bis(1-(4-methylphenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione);1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione (CID 158319799) is 1-(3-chloro-2-pyridinyl)-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(2-fluorophenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(3-fluorophenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(2-methoxyphenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(3-methoxyphenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione;bis(1-(4-methylphenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione);1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione.
What is the SMILES notation for 1-(3-chloro-2-pyridinyl)-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(2-fluorophenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(3-fluorophenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(2-methoxyphenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(3-methoxyphenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione;bis(1-(4-methylphenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione);1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione?
The canonical SMILES for 1-(3-chloro-2-pyridinyl)-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(2-fluorophenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(3-fluorophenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(2-methoxyphenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(3-methoxyphenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione;bis(1-(4-methylphenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione);1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione is COc1cccc(C(=O)CCC(=O)c2ccc3c(c2)OC(F)(F)C(F)(F)O3)c1.COc1ccccc1C(=O)CCC(=O)c1ccc2c(c1)OC(F)(F)C(F)(F)O2.Cc1ccc(C(=O)CCC(=O)c2ccc3c(c2)OC(F)(F)C(F)(F)O3)cc1.Cc1ccc(C(=O)CCC(=O)c2ccc3c(c2)OC(F)(F)C(F)(F)O3)cc1.O=C(CCC(=O)c1ccc2c(c1)OC(F)(F)C(F)(F)O2)c1cccc(C(F)(F)F)c1.O=C(CCC(=O)c1ccc2c(c1)OC(F)(F)C(F)(F)O2)c1cccc(F)c1.O=C(CCC(=O)c1ccccc1C(F)(F)F)c1ccc2c(c1)OC(F)(F)C(F)(F)O2.O=C(CCC(=O)c1ccccc1F)c1ccc2c(c1)OC(F)(F)C(F)(F)O2.O=C(CCC(=O)c1ncccc1Cl)c1ccc2c(c1)OC(F)(F)C(F)(F)O2.
What is the InChIKey of 1-(3-chloro-2-pyridinyl)-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(2-fluorophenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(3-fluorophenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(2-methoxyphenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(3-methoxyphenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione;bis(1-(4-methylphenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione);1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione?
The InChIKey is GORZBSOKAGHKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H11F7O4.2C19H14F4O5.2C19H14F4O4.2C18H11F5O4.C17H10ClF4NO4/c20-17(21,22)12-3-1-2-10(8-12)13(27)5-6-14(28)11-4-7-15-16(9-11)30-19(25,26)18(23,24)29-15;20-17(21,22)12-4-2-1-3-11(12)14(28)7-6-13(27)10-5-8-15-16(9-10)30-19(25,26)18(23,24)29-15;1-26-13-4-2-3-11(9-13)14(24)6-7-15(25)12-5-8-16-17(10-12)28-19(22,23)18(20,21)27-16;1-26-15-5-3-2-4-12(15)14(25)8-7-13(24)11-6-9-16-17(10-11)28-19(22,23)18(20,21)27-16;2*1-11-2-4-12(5-3-11)14(24)7-8-15(25)13-6-9-16-17(10-13)27-19(22,23)18(20,21)26-16;19-12-3-1-2-10(8-12)13(24)5-6-14(25)11-4-7-15-16(9-11)27-18(22,23)17(20,21)26-15;19-12-4-2-1-3-11(12)14(25)7-6-13(24)10-5-8-15-16(9-10)27-18(22,23)17(20,21)26-15;18-10-2-1-7-23-15(10)12(25)5-4-11(24)9-3-6-13-14(8-9)27-17(21,22)16(19,20)26-13/h1-4,7-9H,5-6H2;1-5,8-9H,6-7H2;2-5,8-10H,6-7H2,1H3;2-6,9-10H,7-8H2,1H3;2*2-6,9-10H,7-8H2,1H3;1-4,7-9H,5-6H2;1-5,8-9H,6-7H2;1-3,6-8H,4-5H2.
What are the key properties of 1-(3-chloro-2-pyridinyl)-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(2-fluorophenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(3-fluorophenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(2-methoxyphenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(3-methoxyphenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione;bis(1-(4-methylphenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione);1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione?
1-(3-chloro-2-pyridinyl)-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(2-fluorophenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(3-fluorophenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(2-methoxyphenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(3-methoxyphenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione;bis(1-(4-methylphenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione);1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione has a molecular weight of 3610.05 g/mol, XLogP of 43.40, 47 rotatable bonds, 0 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-pyridinyl)-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(2-fluorophenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(3-fluorophenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(2-methoxyphenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(3-methoxyphenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione;bis(1-(4-methylphenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione);1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione is sourced from PubChem (CID 158319799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).