3-acetyloxy-2,2-difluorobutanoate;anthracene-1-carboxylate;anthracene-2-carboxylate;anthracene-9-carboxylate;4-tert-butylbenzoate;3-carboxynaphthalen-2-olate;5-carboxynaphthalen-1-olate;6-carboxynaphthalen-2-olate;2-carboxyphenolate;4-carboxyphenolate;9,10-dioxoanthracene-2-carboxylate;4-methylbenzoate;naphthalene-1-carboxylate;naphthalene-2-carboxylate;2,3,4,5,6-pentafluorobenzoate;2,2,3,3,3-pentafluoropropanoate;2,3,5,6-tetrafluoro-4-methoxybenzoate;2,3,5,6-tetrafluoro-4-phenylbenzoate;2,2,2-trifluoroacetate;3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoate;3,3,3-trifluoropropanoate;benzoate

C201H122F32O55-22 — CID 158574678

IUPAC3-acetyloxy-2,2-difluorobutanoate;anthracene-1-carboxylate;anthracene-2-carboxylate;anthracene-9-carboxylate;4-tert-butylbenzoate;3-carboxynaphthalen-2-olate;5-carboxynaphthalen-1-olate;6-carboxynaphthalen-2-olate;2-carboxyphenolate;4-carboxyphenolate;9,10-dioxoanthracene-2-carboxylate;4-methylbenzoate;naphthalene-1-carboxylate;naphthalene-2-carboxylate;2,3,4,5,6-pentafluorobenzoate;2,2,3,3,3-pentafluoropropanoate;2,3,5,6-tetrafluoro-4-methoxybenzoate;2,3,5,6-tetrafluoro-4-phenylbenzoate;2,2,2-trifluoroacetate;3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoate;3,3,3-trifluoropropanoate;benzoate
SMILESCC(=O)OC(C)C(F)(F)C(=O)[O-].CC(C)(C)c1ccc(C(=O)[O-])cc1.COc1c(F)c(F)c(C(=O)[O-])c(F)c1F.Cc1ccc(C(=O)[O-])cc1.O=C(O)c1cc2ccccc2cc1[O-].O=C(O)c1ccc([O-])cc1.O=C(O)c1ccc2cc([O-])ccc2c1.O=C(O)c1cccc2c([O-])cccc12.O=C(O)c1ccccc1[O-].O=C([O-])C(F)(F)C(F)(F)F.O=C([O-])C(F)(F)F.O=C([O-])C(O)(C(F)(F)F)C(F)(F)F.O=C([O-])CC(F)(F)F.O=C([O-])c1c(F)c(F)c(-c2ccccc2)c(F)c1F.O=C([O-])c1c(F)c(F)c(F)c(F)c1F.O=C([O-])c1c2ccccc2cc2ccccc12.O=C([O-])c1ccc2c(c1)C(=O)c1ccccc1C2=O.O=C([O-])c1ccc2cc3ccccc3cc2c1.O=C([O-])c1ccc2ccccc2c1.O=C([O-])c1cccc2cc3ccccc3cc12.O=C([O-])c1cccc2ccccc12.O=C([O-])c1ccccc1
InChIInChI=1S/C15H8O4.3C15H10O2.C13H6F4O2.3C11H8O3.2C11H8O2.C11H14O2.C8H4F4O3.C8H8O2.C7HF5O2.2C7H6O3.C7H6O2.C6H8F2O4.C4H2F6O3.C3HF5O2.C3H3F3O2.C2HF3O2/c16-13-9-3-1-2-4-10(9)14(17)12-7-8(15(18)19)5-6-11(12)13;16-15(17)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14;16-15(17)13-7-3-6-12-8-10-4-1-2-5-11(10)9-14(12)13;16-15(17)13-6-5-12-7-10-3-1-2-4-11(10)8-14(12)9-13;14-9-7(6-4-2-1-3-5-6)10(15)12(17)8(11(9)16)13(18)19;12-10-6-2-3-7-8(10)4-1-5-9(7)11(13)14;12-10-4-3-7-5-9(11(13)14)2-1-8(7)6-10;12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14;12-11(13)10-7-3-5-8-4-1-2-6-9(8)10;12-11(13)10-6-5-8-3-1-2-4-9(8)7-10;1-11(2,3)9-6-4-8(5-7-9)10(12)13;1-15-7-5(11)3(9)2(8(13)14)4(10)6(7)12;1-6-2-4-7(5-3-6)8(9)10;8-2-1(7(13)14)3(9)5(11)6(12)4(2)10;8-6-3-1-5(2-4-6)7(9)10;8-6-4-2-1-3-5(6)7(9)10;8-7(9)6-4-2-1-3-5-6;1-3(12-4(2)9)6(7,8)5(10)11;5-3(6,7)2(13,1(11)12)4(8,9)10;4-2(5,1(9)10)3(6,7)8;4-3(5,6)1-2(7)8;3-2(4,5)1(6)7/h1-7H,(H,18,19);3*1-9H,(H,16,17);1-5H,(H,18,19);3*1-6,12H,(H,13,14);2*1-7H,(H,12,13);4-7H,1-3H3,(H,12,13);1H3,(H,13,14);2-5H,1H3,(H,9,10);(H,13,14);2*1-4,8H,(H,9,10);1-5H,(H,8,9);3H,1-2H3,(H,10,11);13H,(H,11,12);(H,9,10);1H2,(H,7,8);(H,6,7)/p-22
InChIKeyVFTUUXDJJRJXBW-UHFFFAOYSA-A
MW4025.07 g/mol
LogP19.28
Rot. Bonds25

About 3-acetyloxy-2,2-difluorobutanoate;anthracene-1-carboxylate;anthracene-2-carboxylate;anthracene-9-carboxylate;4-tert-butylbenzoate;3-carboxynaphthalen-2-olate;5-carboxynaphthalen-1-olate;6-carboxynaphthalen-2-olate;2-carboxyphenolate;4-carboxyphenolate;9,10-dioxoanthracene-2-carboxylate;4-methylbenzoate;naphthalene-1-carboxylate;naphthalene-2-carboxylate;2,3,4,5,6-pentafluorobenzoate;2,2,3,3,3-pentafluoropropanoate;2,3,5,6-tetrafluoro-4-methoxybenzoate;2,3,5,6-tetrafluoro-4-phenylbenzoate;2,2,2-trifluoroacetate;3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoate;3,3,3-trifluoropropanoate;benzoate

3-acetyloxy-2,2-difluorobutanoate;anthracene-1-carboxylate;anthracene-2-carboxylate;anthracene-9-carboxylate;4-tert-butylbenzoate;3-carboxynaphthalen-2-olate;5-carboxynaphthalen-1-olate;6-carboxynaphthalen-2-olate;2-carboxyphenolate;4-carboxyphenolate;9,10-dioxoanthracene-2-carboxylate;4-methylbenzoate;naphthalene-1-carboxylate;naphthalene-2-carboxylate;2,3,4,5,6-pentafluorobenzoate;2,2,3,3,3-pentafluoropropanoate;2,3,5,6-tetrafluoro-4-methoxybenzoate;2,3,5,6-tetrafluoro-4-phenylbenzoate;2,2,2-trifluoroacetate;3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoate;3,3,3-trifluoropropanoate;benzoate (PubChem CID 158574678) has the molecular formula C201H122F32O55-22 and a molecular weight of 4025.07 g/mol. Its IUPAC name is 3-acetyloxy-2,2-difluorobutanoate;anthracene-1-carboxylate;anthracene-2-carboxylate;anthracene-9-carboxylate;4-tert-butylbenzoate;3-carboxynaphthalen-2-olate;5-carboxynaphthalen-1-olate;6-carboxynaphthalen-2-olate;2-carboxyphenolate;4-carboxyphenolate;9,10-dioxoanthracene-2-carboxylate;4-methylbenzoate;naphthalene-1-carboxylate;naphthalene-2-carboxylate;2,3,4,5,6-pentafluorobenzoate;2,2,3,3,3-pentafluoropropanoate;2,3,5,6-tetrafluoro-4-methoxybenzoate;2,3,5,6-tetrafluoro-4-phenylbenzoate;2,2,2-trifluoroacetate;3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoate;3,3,3-trifluoropropanoate;benzoate.

Molecular Properties

Compound Name3-acetyloxy-2,2-difluorobutanoate;anthracene-1-carboxylate;anthracene-2-carboxylate;anthracene-9-carboxylate;4-tert-butylbenzoate;3-carboxynaphthalen-2-olate;5-carboxynaphthalen-1-olate;6-carboxynaphthalen-2-olate;2-carboxyphenolate;4-carboxyphenolate;9,10-dioxoanthracene-2-carboxylate;4-methylbenzoate;naphthalene-1-carboxylate;naphthalene-2-carboxylate;2,3,4,5,6-pentafluorobenzoate;2,2,3,3,3-pentafluoropropanoate;2,3,5,6-tetrafluoro-4-methoxybenzoate;2,3,5,6-tetrafluoro-4-phenylbenzoate;2,2,2-trifluoroacetate;3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoate;3,3,3-trifluoropropanoate;benzoate
PubChem CID158574678
Molecular FormulaC201H122F32O55-22
Molecular Weight4025.07 g/mol
Exact Mass4022.64
IUPAC Name3-acetyloxy-2,2-difluorobutanoate;anthracene-1-carboxylate;anthracene-2-carboxylate;anthracene-9-carboxylate;4-tert-butylbenzoate;3-carboxynaphthalen-2-olate;5-carboxynaphthalen-1-olate;6-carboxynaphthalen-2-olate;2-carboxyphenolate;4-carboxyphenolate;9,10-dioxoanthracene-2-carboxylate;4-methylbenzoate;naphthalene-1-carboxylate;naphthalene-2-carboxylate;2,3,4,5,6-pentafluorobenzoate;2,2,3,3,3-pentafluoropropanoate;2,3,5,6-tetrafluoro-4-methoxybenzoate;2,3,5,6-tetrafluoro-4-phenylbenzoate;2,2,2-trifluoroacetate;3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoate;3,3,3-trifluoropropanoate;benzoate
SMILESCC(=O)OC(C)C(F)(F)C(=O)[O-].CC(C)(C)c1ccc(C(=O)[O-])cc1.COc1c(F)c(F)c(C(=O)[O-])c(F)c1F.Cc1ccc(C(=O)[O-])cc1.O=C(O)c1cc2ccccc2cc1[O-].O=C(O)c1ccc([O-])cc1.O=C(O)c1ccc2cc([O-])ccc2c1.O=C(O)c1cccc2c([O-])cccc12.O=C(O)c1ccccc1[O-].O=C([O-])C(F)(F)C(F)(F)F.O=C([O-])C(F)(F)F.O=C([O-])C(O)(C(F)(F)F)C(F)(F)F.O=C([O-])CC(F)(F)F.O=C([O-])c1c(F)c(F)c(-c2ccccc2)c(F)c1F.O=C([O-])c1c(F)c(F)c(F)c(F)c1F.O=C([O-])c1c2ccccc2cc2ccccc12.O=C([O-])c1ccc2c(c1)C(=O)c1ccccc1C2=O.O=C([O-])c1ccc2cc3ccccc3cc2c1.O=C([O-])c1ccc2ccccc2c1.O=C([O-])c1cccc2cc3ccccc3cc12.O=C([O-])c1cccc2ccccc12.O=C([O-])c1ccccc1
InChIInChI=1S/C15H8O4.3C15H10O2.C13H6F4O2.3C11H8O3.2C11H8O2.C11H14O2.C8H4F4O3.C8H8O2.C7HF5O2.2C7H6O3.C7H6O2.C6H8F2O4.C4H2F6O3.C3HF5O2.C3H3F3O2.C2HF3O2/c16-13-9-3-1-2-4-10(9)14(17)12-7-8(15(18)19)5-6-11(12)13;16-15(17)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14;16-15(17)13-7-3-6-12-8-10-4-1-2-5-11(10)9-14(12)13;16-15(17)13-6-5-12-7-10-3-1-2-4-11(10)8-14(12)9-13;14-9-7(6-4-2-1-3-5-6)10(15)12(17)8(11(9)16)13(18)19;12-10-6-2-3-7-8(10)4-1-5-9(7)11(13)14;12-10-4-3-7-5-9(11(13)14)2-1-8(7)6-10;12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14;12-11(13)10-7-3-5-8-4-1-2-6-9(8)10;12-11(13)10-6-5-8-3-1-2-4-9(8)7-10;1-11(2,3)9-6-4-8(5-7-9)10(12)13;1-15-7-5(11)3(9)2(8(13)14)4(10)6(7)12;1-6-2-4-7(5-3-6)8(9)10;8-2-1(7(13)14)3(9)5(11)6(12)4(2)10;8-6-3-1-5(2-4-6)7(9)10;8-6-4-2-1-3-5(6)7(9)10;8-7(9)6-4-2-1-3-5-6;1-3(12-4(2)9)6(7,8)5(10)11;5-3(6,7)2(13,1(11)12)4(8,9)10;4-2(5,1(9)10)3(6,7)8;4-3(5,6)1-2(7)8;3-2(4,5)1(6)7/h1-7H,(H,18,19);3*1-9H,(H,16,17);1-5H,(H,18,19);3*1-6,12H,(H,13,14);2*1-7H,(H,12,13);4-7H,1-3H3,(H,12,13);1H3,(H,13,14);2-5H,1H3,(H,9,10);(H,13,14);2*1-4,8H,(H,9,10);1-5H,(H,8,9);3H,1-2H3,(H,10,11);13H,(H,11,12);(H,9,10);1H2,(H,7,8);(H,6,7)/p-22
InChIKeyVFTUUXDJJRJXBW-UHFFFAOYSA-A
XLogP19.28
TPSA1073.91 Ų
H-Bond Donors6
H-Bond Acceptors50
Rotatable Bonds25
Heavy Atoms288
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004025.07
LogP ≤ 519.28
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1050

Analyze 3-acetyloxy-2,2-difluorobutanoate;anthracene-1-carboxylate;anthracene-2-carboxylate;anthracene-9-carboxylate;4-tert-butylbenzoate;3-carboxynaphthalen-2-olate;5-carboxynaphthalen-1-olate;6-carboxynaphthalen-2-olate;2-carboxyphenolate;4-carboxyphenolate;9,10-dioxoanthracene-2-carboxylate;4-methylbenzoate;naphthalene-1-carboxylate;naphthalene-2-carboxylate;2,3,4,5,6-pentafluorobenzoate;2,2,3,3,3-pentafluoropropanoate;2,3,5,6-tetrafluoro-4-methoxybenzoate;2,3,5,6-tetrafluoro-4-phenylbenzoate;2,2,2-trifluoroacetate;3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoate;3,3,3-trifluoropropanoate;benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-acetyloxy-2,2-difluorobutanoate;anthracene-1-carboxylate;anthracene-2-carboxylate;anthracene-9-carboxylate;4-tert-butylbenzoate;3-carboxynaphthalen-2-olate;5-carboxynaphthalen-1-olate;6-carboxynaphthalen-2-olate;2-carboxyphenolate;4-carboxyphenolate;9,10-dioxoanthracene-2-carboxylate;4-methylbenzoate;naphthalene-1-carboxylate;naphthalene-2-carboxylate;2,3,4,5,6-pentafluorobenzoate;2,2,3,3,3-pentafluoropropanoate;2,3,5,6-tetrafluoro-4-methoxybenzoate;2,3,5,6-tetrafluoro-4-phenylbenzoate;2,2,2-trifluoroacetate;3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoate;3,3,3-trifluoropropanoate;benzoate?
The IUPAC name of 3-acetyloxy-2,2-difluorobutanoate;anthracene-1-carboxylate;anthracene-2-carboxylate;anthracene-9-carboxylate;4-tert-butylbenzoate;3-carboxynaphthalen-2-olate;5-carboxynaphthalen-1-olate;6-carboxynaphthalen-2-olate;2-carboxyphenolate;4-carboxyphenolate;9,10-dioxoanthracene-2-carboxylate;4-methylbenzoate;naphthalene-1-carboxylate;naphthalene-2-carboxylate;2,3,4,5,6-pentafluorobenzoate;2,2,3,3,3-pentafluoropropanoate;2,3,5,6-tetrafluoro-4-methoxybenzoate;2,3,5,6-tetrafluoro-4-phenylbenzoate;2,2,2-trifluoroacetate;3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoate;3,3,3-trifluoropropanoate;benzoate (CID 158574678) is 3-acetyloxy-2,2-difluorobutanoate;anthracene-1-carboxylate;anthracene-2-carboxylate;anthracene-9-carboxylate;4-tert-butylbenzoate;3-carboxynaphthalen-2-olate;5-carboxynaphthalen-1-olate;6-carboxynaphthalen-2-olate;2-carboxyphenolate;4-carboxyphenolate;9,10-dioxoanthracene-2-carboxylate;4-methylbenzoate;naphthalene-1-carboxylate;naphthalene-2-carboxylate;2,3,4,5,6-pentafluorobenzoate;2,2,3,3,3-pentafluoropropanoate;2,3,5,6-tetrafluoro-4-methoxybenzoate;2,3,5,6-tetrafluoro-4-phenylbenzoate;2,2,2-trifluoroacetate;3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoate;3,3,3-trifluoropropanoate;benzoate.
What is the SMILES notation for 3-acetyloxy-2,2-difluorobutanoate;anthracene-1-carboxylate;anthracene-2-carboxylate;anthracene-9-carboxylate;4-tert-butylbenzoate;3-carboxynaphthalen-2-olate;5-carboxynaphthalen-1-olate;6-carboxynaphthalen-2-olate;2-carboxyphenolate;4-carboxyphenolate;9,10-dioxoanthracene-2-carboxylate;4-methylbenzoate;naphthalene-1-carboxylate;naphthalene-2-carboxylate;2,3,4,5,6-pentafluorobenzoate;2,2,3,3,3-pentafluoropropanoate;2,3,5,6-tetrafluoro-4-methoxybenzoate;2,3,5,6-tetrafluoro-4-phenylbenzoate;2,2,2-trifluoroacetate;3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoate;3,3,3-trifluoropropanoate;benzoate?
The canonical SMILES for 3-acetyloxy-2,2-difluorobutanoate;anthracene-1-carboxylate;anthracene-2-carboxylate;anthracene-9-carboxylate;4-tert-butylbenzoate;3-carboxynaphthalen-2-olate;5-carboxynaphthalen-1-olate;6-carboxynaphthalen-2-olate;2-carboxyphenolate;4-carboxyphenolate;9,10-dioxoanthracene-2-carboxylate;4-methylbenzoate;naphthalene-1-carboxylate;naphthalene-2-carboxylate;2,3,4,5,6-pentafluorobenzoate;2,2,3,3,3-pentafluoropropanoate;2,3,5,6-tetrafluoro-4-methoxybenzoate;2,3,5,6-tetrafluoro-4-phenylbenzoate;2,2,2-trifluoroacetate;3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoate;3,3,3-trifluoropropanoate;benzoate is CC(=O)OC(C)C(F)(F)C(=O)[O-].CC(C)(C)c1ccc(C(=O)[O-])cc1.COc1c(F)c(F)c(C(=O)[O-])c(F)c1F.Cc1ccc(C(=O)[O-])cc1.O=C(O)c1cc2ccccc2cc1[O-].O=C(O)c1ccc([O-])cc1.O=C(O)c1ccc2cc([O-])ccc2c1.O=C(O)c1cccc2c([O-])cccc12.O=C(O)c1ccccc1[O-].O=C([O-])C(F)(F)C(F)(F)F.O=C([O-])C(F)(F)F.O=C([O-])C(O)(C(F)(F)F)C(F)(F)F.O=C([O-])CC(F)(F)F.O=C([O-])c1c(F)c(F)c(-c2ccccc2)c(F)c1F.O=C([O-])c1c(F)c(F)c(F)c(F)c1F.O=C([O-])c1c2ccccc2cc2ccccc12.O=C([O-])c1ccc2c(c1)C(=O)c1ccccc1C2=O.O=C([O-])c1ccc2cc3ccccc3cc2c1.O=C([O-])c1ccc2ccccc2c1.O=C([O-])c1cccc2cc3ccccc3cc12.O=C([O-])c1cccc2ccccc12.O=C([O-])c1ccccc1.
What is the InChIKey of 3-acetyloxy-2,2-difluorobutanoate;anthracene-1-carboxylate;anthracene-2-carboxylate;anthracene-9-carboxylate;4-tert-butylbenzoate;3-carboxynaphthalen-2-olate;5-carboxynaphthalen-1-olate;6-carboxynaphthalen-2-olate;2-carboxyphenolate;4-carboxyphenolate;9,10-dioxoanthracene-2-carboxylate;4-methylbenzoate;naphthalene-1-carboxylate;naphthalene-2-carboxylate;2,3,4,5,6-pentafluorobenzoate;2,2,3,3,3-pentafluoropropanoate;2,3,5,6-tetrafluoro-4-methoxybenzoate;2,3,5,6-tetrafluoro-4-phenylbenzoate;2,2,2-trifluoroacetate;3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoate;3,3,3-trifluoropropanoate;benzoate?
The InChIKey is VFTUUXDJJRJXBW-UHFFFAOYSA-A. The full InChI is InChI=1S/C15H8O4.3C15H10O2.C13H6F4O2.3C11H8O3.2C11H8O2.C11H14O2.C8H4F4O3.C8H8O2.C7HF5O2.2C7H6O3.C7H6O2.C6H8F2O4.C4H2F6O3.C3HF5O2.C3H3F3O2.C2HF3O2/c16-13-9-3-1-2-4-10(9)14(17)12-7-8(15(18)19)5-6-11(12)13;16-15(17)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14;16-15(17)13-7-3-6-12-8-10-4-1-2-5-11(10)9-14(12)13;16-15(17)13-6-5-12-7-10-3-1-2-4-11(10)8-14(12)9-13;14-9-7(6-4-2-1-3-5-6)10(15)12(17)8(11(9)16)13(18)19;12-10-6-2-3-7-8(10)4-1-5-9(7)11(13)14;12-10-4-3-7-5-9(11(13)14)2-1-8(7)6-10;12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14;12-11(13)10-7-3-5-8-4-1-2-6-9(8)10;12-11(13)10-6-5-8-3-1-2-4-9(8)7-10;1-11(2,3)9-6-4-8(5-7-9)10(12)13;1-15-7-5(11)3(9)2(8(13)14)4(10)6(7)12;1-6-2-4-7(5-3-6)8(9)10;8-2-1(7(13)14)3(9)5(11)6(12)4(2)10;8-6-3-1-5(2-4-6)7(9)10;8-6-4-2-1-3-5(6)7(9)10;8-7(9)6-4-2-1-3-5-6;1-3(12-4(2)9)6(7,8)5(10)11;5-3(6,7)2(13,1(11)12)4(8,9)10;4-2(5,1(9)10)3(6,7)8;4-3(5,6)1-2(7)8;3-2(4,5)1(6)7/h1-7H,(H,18,19);3*1-9H,(H,16,17);1-5H,(H,18,19);3*1-6,12H,(H,13,14);2*1-7H,(H,12,13);4-7H,1-3H3,(H,12,13);1H3,(H,13,14);2-5H,1H3,(H,9,10);(H,13,14);2*1-4,8H,(H,9,10);1-5H,(H,8,9);3H,1-2H3,(H,10,11);13H,(H,11,12);(H,9,10);1H2,(H,7,8);(H,6,7)/p-22.
What are the key properties of 3-acetyloxy-2,2-difluorobutanoate;anthracene-1-carboxylate;anthracene-2-carboxylate;anthracene-9-carboxylate;4-tert-butylbenzoate;3-carboxynaphthalen-2-olate;5-carboxynaphthalen-1-olate;6-carboxynaphthalen-2-olate;2-carboxyphenolate;4-carboxyphenolate;9,10-dioxoanthracene-2-carboxylate;4-methylbenzoate;naphthalene-1-carboxylate;naphthalene-2-carboxylate;2,3,4,5,6-pentafluorobenzoate;2,2,3,3,3-pentafluoropropanoate;2,3,5,6-tetrafluoro-4-methoxybenzoate;2,3,5,6-tetrafluoro-4-phenylbenzoate;2,2,2-trifluoroacetate;3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoate;3,3,3-trifluoropropanoate;benzoate?
3-acetyloxy-2,2-difluorobutanoate;anthracene-1-carboxylate;anthracene-2-carboxylate;anthracene-9-carboxylate;4-tert-butylbenzoate;3-carboxynaphthalen-2-olate;5-carboxynaphthalen-1-olate;6-carboxynaphthalen-2-olate;2-carboxyphenolate;4-carboxyphenolate;9,10-dioxoanthracene-2-carboxylate;4-methylbenzoate;naphthalene-1-carboxylate;naphthalene-2-carboxylate;2,3,4,5,6-pentafluorobenzoate;2,2,3,3,3-pentafluoropropanoate;2,3,5,6-tetrafluoro-4-methoxybenzoate;2,3,5,6-tetrafluoro-4-phenylbenzoate;2,2,2-trifluoroacetate;3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoate;3,3,3-trifluoropropanoate;benzoate has a molecular weight of 4025.07 g/mol, XLogP of 19.28, 25 rotatable bonds, 6 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyloxy-2,2-difluorobutanoate;anthracene-1-carboxylate;anthracene-2-carboxylate;anthracene-9-carboxylate;4-tert-butylbenzoate;3-carboxynaphthalen-2-olate;5-carboxynaphthalen-1-olate;6-carboxynaphthalen-2-olate;2-carboxyphenolate;4-carboxyphenolate;9,10-dioxoanthracene-2-carboxylate;4-methylbenzoate;naphthalene-1-carboxylate;naphthalene-2-carboxylate;2,3,4,5,6-pentafluorobenzoate;2,2,3,3,3-pentafluoropropanoate;2,3,5,6-tetrafluoro-4-methoxybenzoate;2,3,5,6-tetrafluoro-4-phenylbenzoate;2,2,2-trifluoroacetate;3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoate;3,3,3-trifluoropropanoate;benzoate is sourced from PubChem (CID 158574678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).