3-(2,2-difluoropropanoyloxy)adamantane-1-carboxylic acid;4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylic acid;bis([4-(4-iodophenoxy)phenyl]-diphenylsulfanium);bis((4-iodophenyl)-bis[4-(trifluoromethyl)phenyl]sulfanium);1,1,1,3,3-pentafluorobutan-2-yl 3-hydroxyadamantane-1-carboxylate;3-(1,1,1,3,3-pentafluorobutan-2-yloxycarbonyl)adamantane-1-carboxylic acid

C147H134F26I4O17S4+4 — CID 164973360

IUPAC3-(2,2-difluoropropanoyloxy)adamantane-1-carboxylic acid;4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylic acid;bis([4-(4-iodophenoxy)phenyl]-diphenylsulfanium);bis((4-iodophenyl)-bis[4-(trifluoromethyl)phenyl]sulfanium);1,1,1,3,3-pentafluorobutan-2-yl 3-hydroxyadamantane-1-carboxylate;3-(1,1,1,3,3-pentafluorobutan-2-yloxycarbonyl)adamantane-1-carboxylic acid
SMILESCC(F)(F)C(=O)OC12CC3CC(C1)CC(C(=O)O)(C3)C2.CC(F)(F)C(=O)OC1C2CC3CC1CC(C(=O)O)(C3)C2.CC(F)(F)C(OC(=O)C12CC3CC(CC(C(=O)O)(C3)C1)C2)C(F)(F)F.CC(F)(F)C(OC(=O)C12CC3CC(CC(O)(C3)C1)C2)C(F)(F)F.FC(F)(F)c1ccc([S+](c2ccc(I)cc2)c2ccc(C(F)(F)F)cc2)cc1.FC(F)(F)c1ccc([S+](c2ccc(I)cc2)c2ccc(C(F)(F)F)cc2)cc1.Ic1ccc(Oc2ccc([S+](c3ccccc3)c3ccccc3)cc2)cc1.Ic1ccc(Oc2ccc([S+](c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/2C24H18IOS.2C20H12F6IS.C16H19F5O4.C15H19F5O3.2C14H18F2O4/c2*25-19-11-13-20(14-12-19)26-21-15-17-24(18-16-21)27(22-7-3-1-4-8-22)23-9-5-2-6-10-23;2*21-19(22,23)13-1-7-16(8-2-13)28(18-11-5-15(27)6-12-18)17-9-3-14(4-10-17)20(24,25)26;1-13(17,18)10(16(19,20)21)25-12(24)15-5-8-2-9(6-15)4-14(3-8,7-15)11(22)23;1-12(16,17)10(15(18,19)20)23-11(21)13-3-8-2-9(4-13)6-14(22,5-8)7-13;1-12(15,16)11(19)20-14-5-8-2-9(6-14)4-13(3-8,7-14)10(17)18;1-13(15,16)12(19)20-10-8-2-7-3-9(10)6-14(4-7,5-8)11(17)18/h2*1-18H;2*1-12H;8-10H,2-7H2,1H3,(H,22,23);8-10,22H,2-7H2,1H3;8-9H,2-7H2,1H3,(H,17,18);7-10H,2-6H2,1H3,(H,17,18)/q4*+1;;;;
InChIKeyDKZAFSAJZXSADJ-UHFFFAOYSA-N
MW3302.50 g/mol
LogP41.51
Rot. Bonds29

About 3-(2,2-difluoropropanoyloxy)adamantane-1-carboxylic acid;4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylic acid;bis([4-(4-iodophenoxy)phenyl]-diphenylsulfanium);bis((4-iodophenyl)-bis[4-(trifluoromethyl)phenyl]sulfanium);1,1,1,3,3-pentafluorobutan-2-yl 3-hydroxyadamantane-1-carboxylate;3-(1,1,1,3,3-pentafluorobutan-2-yloxycarbonyl)adamantane-1-carboxylic acid

3-(2,2-difluoropropanoyloxy)adamantane-1-carboxylic acid;4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylic acid;bis([4-(4-iodophenoxy)phenyl]-diphenylsulfanium);bis((4-iodophenyl)-bis[4-(trifluoromethyl)phenyl]sulfanium);1,1,1,3,3-pentafluorobutan-2-yl 3-hydroxyadamantane-1-carboxylate;3-(1,1,1,3,3-pentafluorobutan-2-yloxycarbonyl)adamantane-1-carboxylic acid (PubChem CID 164973360) has the molecular formula C147H134F26I4O17S4+4 and a molecular weight of 3302.50 g/mol. Its IUPAC name is 3-(2,2-difluoropropanoyloxy)adamantane-1-carboxylic acid;4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylic acid;bis([4-(4-iodophenoxy)phenyl]-diphenylsulfanium);bis((4-iodophenyl)-bis[4-(trifluoromethyl)phenyl]sulfanium);1,1,1,3,3-pentafluorobutan-2-yl 3-hydroxyadamantane-1-carboxylate;3-(1,1,1,3,3-pentafluorobutan-2-yloxycarbonyl)adamantane-1-carboxylic acid.

Molecular Properties

Compound Name3-(2,2-difluoropropanoyloxy)adamantane-1-carboxylic acid;4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylic acid;bis([4-(4-iodophenoxy)phenyl]-diphenylsulfanium);bis((4-iodophenyl)-bis[4-(trifluoromethyl)phenyl]sulfanium);1,1,1,3,3-pentafluorobutan-2-yl 3-hydroxyadamantane-1-carboxylate;3-(1,1,1,3,3-pentafluorobutan-2-yloxycarbonyl)adamantane-1-carboxylic acid
PubChem CID164973360
Molecular FormulaC147H134F26I4O17S4+4
Molecular Weight3302.50 g/mol
Exact Mass3300.42
IUPAC Name3-(2,2-difluoropropanoyloxy)adamantane-1-carboxylic acid;4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylic acid;bis([4-(4-iodophenoxy)phenyl]-diphenylsulfanium);bis((4-iodophenyl)-bis[4-(trifluoromethyl)phenyl]sulfanium);1,1,1,3,3-pentafluorobutan-2-yl 3-hydroxyadamantane-1-carboxylate;3-(1,1,1,3,3-pentafluorobutan-2-yloxycarbonyl)adamantane-1-carboxylic acid
SMILESCC(F)(F)C(=O)OC12CC3CC(C1)CC(C(=O)O)(C3)C2.CC(F)(F)C(=O)OC1C2CC3CC1CC(C(=O)O)(C3)C2.CC(F)(F)C(OC(=O)C12CC3CC(CC(C(=O)O)(C3)C1)C2)C(F)(F)F.CC(F)(F)C(OC(=O)C12CC3CC(CC(O)(C3)C1)C2)C(F)(F)F.FC(F)(F)c1ccc([S+](c2ccc(I)cc2)c2ccc(C(F)(F)F)cc2)cc1.FC(F)(F)c1ccc([S+](c2ccc(I)cc2)c2ccc(C(F)(F)F)cc2)cc1.Ic1ccc(Oc2ccc([S+](c3ccccc3)c3ccccc3)cc2)cc1.Ic1ccc(Oc2ccc([S+](c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/2C24H18IOS.2C20H12F6IS.C16H19F5O4.C15H19F5O3.2C14H18F2O4/c2*25-19-11-13-20(14-12-19)26-21-15-17-24(18-16-21)27(22-7-3-1-4-8-22)23-9-5-2-6-10-23;2*21-19(22,23)13-1-7-16(8-2-13)28(18-11-5-15(27)6-12-18)17-9-3-14(4-10-17)20(24,25)26;1-13(17,18)10(16(19,20)21)25-12(24)15-5-8-2-9(6-15)4-14(3-8,7-15)11(22)23;1-12(16,17)10(15(18,19)20)23-11(21)13-3-8-2-9(4-13)6-14(22,5-8)7-13;1-12(15,16)11(19)20-14-5-8-2-9(6-14)4-13(3-8,7-14)10(17)18;1-13(15,16)12(19)20-10-8-2-7-3-9(10)6-14(4-7,5-8)11(17)18/h2*1-18H;2*1-12H;8-10H,2-7H2,1H3,(H,22,23);8-10,22H,2-7H2,1H3;8-9H,2-7H2,1H3,(H,17,18);7-10H,2-6H2,1H3,(H,17,18)/q4*+1;;;;
InChIKeyDKZAFSAJZXSADJ-UHFFFAOYSA-N
XLogP41.51
TPSA255.79 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds29
Heavy Atoms198
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003302.50
LogP ≤ 541.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 3-(2,2-difluoropropanoyloxy)adamantane-1-carboxylic acid;4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylic acid;bis([4-(4-iodophenoxy)phenyl]-diphenylsulfanium);bis((4-iodophenyl)-bis[4-(trifluoromethyl)phenyl]sulfanium);1,1,1,3,3-pentafluorobutan-2-yl 3-hydroxyadamantane-1-carboxylate;3-(1,1,1,3,3-pentafluorobutan-2-yloxycarbonyl)adamantane-1-carboxylic acid with MolForge

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

Launch Full Analysis

Related Compounds

[3-(2,2-Difluoropropanoyloxy)-2-hydroxypropyl] 3-hydroxyadamantane-1-carboxylate;[3-(2,2-difluoropropanoyloxy)-2-hydroxypropyl] 4-oxoadamantane-1-carboxylate;[2-hydroxy-3-(3-hydroxyadamantane-1-carbonyl)oxypropyl] 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate;tris(10-phenylphenoxathiin-10-ium)
CID 157916322
(4-Tert-butylphenyl)-diphenylsulfanium;1,1-difluoro-2-oxo-2-(2,4,6-triiodophenoxy)ethanesulfonate;(4-hydroxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;2-[4-oxo-4-(2,4,6-triiodophenoxy)butanoyl]oxyethanesulfonate;3,3,3-trifluoro-2-[4-(3-hydroxy-4-iodophenoxy)-4-oxobutanoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[4-(4-iodo-3-methoxyphenoxy)-4-oxobutanoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-(trifluoromethyl)-2-[2-(2,4,6-triiodophenoxy)carbonylcyclohexanecarbonyl]oxypropane-1-sulfonate;triphenylsulfanium;tris(4-tert-butylphenyl)sulfanium
CID 158190448
2-(Adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;bis([4-[4-[(3-hydroxy-1-adamantyl)oxycarbonyl]-2,2,4-trimethylhexanoyl]oxyphenyl]-(4-methylphenyl)-phenylsulfanium);1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 158408313
2-(2,2-Difluoropropanoyloxy)ethyl adamantane-1-carboxylate;2-(2,2-difluoropropanoyloxy)ethyl 3-hydroxyadamantane-1-carboxylate;2-(2,2-difluoropropanoyloxy)ethyl 4-oxoadamantane-1-carboxylate;2-(2,2-difluoropropanoyloxy)ethyl 5,5,6,6-tetrafluorospiro[1,3-dioxepane-2,4'-adamantane]-1'-carboxylate;bis(4-[4-(2-ethoxyethoxy)phenyl]-1,4-oxathian-4-ium);bis(4-(4-methoxyphenyl)-1,4-oxathian-4-ium)
CID 158464313
(4-Tert-butylphenyl)-diphenylsulfanium;tetrakis(2-(2-carboxycyclohexanecarbonyl)oxy-1,1-difluoroethanesulfonate);[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;tris(4-tert-butylphenyl)sulfanium;tris(4-methylphenyl)sulfanium
CID 158551901
2-[4-Bis(4-cyclohexylphenyl)sulfoniophenoxy]-1,1-difluoropropane-1-sulfonate;2-[2-(4-diphenylsulfoniophenoxy)acetyl]oxy-1,1-difluoropropane-1-sulfonate;2-[4-(4-diphenylsulfoniophenoxy)adamantane-1-carbonyl]oxy-1,1-difluoropropane-1-sulfonate;2-[4-(4-diphenylsulfoniophenoxy)cyclohexanecarbonyl]oxy-1,1-difluoropropane-1-sulfonate
CID 159290411
2,2-Difluoropropyl 3-[2-[(3,5-dihydroxy-1-adamantyl)oxy]-2-oxoethoxy]adamantane-1-carboxylate;[2-[(3,5-dihydroxy-1-adamantyl)oxy]-2-oxoethyl] 4-[2-(2,2-difluoropropanoyloxy)acetyl]oxyadamantane-1-carboxylate;[2-[(3-hydroxy-1-adamantyl)oxy]-2-oxoethyl] 4-[2-(2,2-difluoropropanoyloxy)acetyl]oxyadamantane-1-carboxylate;[2-[(3-hydroxy-1-adamantyl)oxy]-2-oxoethyl] 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate;10-phenylphenoxathiin-10-ium;tris(triphenylsulfanium)
CID 159327930
(4-Tert-butylphenyl)-diphenylsulfanium;tetrakis(3,3-difluorobutan-2-yl adamantane-1-carboxylate);(4-methylphenyl)-diphenylsulfanium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;triphenylsulfanium
CID 159768322
Tris([4-(2,2-dimethylbutanoyloxy)phenyl]-diphenylsulfanium);(3-hydroxy-1-adamantyl)methyl 2,2-difluoropropanoate;(4-oxo-1-adamantyl)methyl 2,2-difluoropropanoate
CID 159962490
2-[4-[[4-[1,1-Bis[2-(3-hydroxy-1-adamantyl)ethoxy]ethyl]phenyl]-phenylsulfonio]phenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-[[4-[1,1-bis[2-(4-hydroxy-1-adamantyl)ethoxy]ethyl]phenyl]-phenylsulfonio]phenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-[[4-[1,1-bis[2-(4-oxo-1-adamantyl)ethoxy]ethyl]phenyl]-phenylsulfonio]phenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-[(4-tert-butylphenyl)-[4-(1,1-diethoxyethyl)phenyl]sulfonio]phenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-[(4-tert-butylphenyl)-[4-(1,1-dimethoxyethyl)phenyl]sulfonio]phenoxy]-1,1-difluoropropane-1-sulfonate
CID 160140672
2-[4-[[4-[1,1-Bis[2-(1-adamantyl)ethoxy]ethyl]phenyl]-phenylsulfonio]phenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-[[4-[1,1-bis(2-cyclohexylethoxy)ethyl]phenyl]-phenylsulfonio]phenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-[[4-[1,1-bis[2-(3-hydroxy-1-adamantyl)ethoxy]ethyl]phenyl]-phenylsulfonio]phenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-[[4-[1,1-bis[2-(4-hydroxy-1-adamantyl)ethoxy]ethyl]phenyl]-phenylsulfonio]phenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-[[4-[1,1-bis[2-(4-oxo-1-adamantyl)ethoxy]ethyl]phenyl]-phenylsulfonio]phenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-[[4-[1,1-bis[2-(4-oxocyclohexyl)ethoxy]ethyl]phenyl]-phenylsulfonio]phenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-[[4-(1,1-dibutoxyethyl)phenyl]-phenylsulfonio]phenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-[[4-(1,1-dipropoxyethyl)phenyl]-phenylsulfonio]phenoxy]-1,1-difluoropropane-1-sulfonate
CID 160317460
(4-Tert-butylphenyl)-diphenylsulfanium;tetrakis(3,3-difluorobutan-2-yl adamantane-1-carboxylate);3,3-difluorobutan-2-yl adamantane-2-carboxylate;(4-methylphenyl)-diphenylsulfanium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;bis(triphenylsulfanium)
CID 160668708

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoropropanoyloxy)adamantane-1-carboxylic acid;4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylic acid;bis([4-(4-iodophenoxy)phenyl]-diphenylsulfanium);bis((4-iodophenyl)-bis[4-(trifluoromethyl)phenyl]sulfanium);1,1,1,3,3-pentafluorobutan-2-yl 3-hydroxyadamantane-1-carboxylate;3-(1,1,1,3,3-pentafluorobutan-2-yloxycarbonyl)adamantane-1-carboxylic acid?
The IUPAC name of 3-(2,2-difluoropropanoyloxy)adamantane-1-carboxylic acid;4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylic acid;bis([4-(4-iodophenoxy)phenyl]-diphenylsulfanium);bis((4-iodophenyl)-bis[4-(trifluoromethyl)phenyl]sulfanium);1,1,1,3,3-pentafluorobutan-2-yl 3-hydroxyadamantane-1-carboxylate;3-(1,1,1,3,3-pentafluorobutan-2-yloxycarbonyl)adamantane-1-carboxylic acid (CID 164973360) is 3-(2,2-difluoropropanoyloxy)adamantane-1-carboxylic acid;4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylic acid;bis([4-(4-iodophenoxy)phenyl]-diphenylsulfanium);bis((4-iodophenyl)-bis[4-(trifluoromethyl)phenyl]sulfanium);1,1,1,3,3-pentafluorobutan-2-yl 3-hydroxyadamantane-1-carboxylate;3-(1,1,1,3,3-pentafluorobutan-2-yloxycarbonyl)adamantane-1-carboxylic acid.
What is the SMILES notation for 3-(2,2-difluoropropanoyloxy)adamantane-1-carboxylic acid;4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylic acid;bis([4-(4-iodophenoxy)phenyl]-diphenylsulfanium);bis((4-iodophenyl)-bis[4-(trifluoromethyl)phenyl]sulfanium);1,1,1,3,3-pentafluorobutan-2-yl 3-hydroxyadamantane-1-carboxylate;3-(1,1,1,3,3-pentafluorobutan-2-yloxycarbonyl)adamantane-1-carboxylic acid?
The canonical SMILES for 3-(2,2-difluoropropanoyloxy)adamantane-1-carboxylic acid;4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylic acid;bis([4-(4-iodophenoxy)phenyl]-diphenylsulfanium);bis((4-iodophenyl)-bis[4-(trifluoromethyl)phenyl]sulfanium);1,1,1,3,3-pentafluorobutan-2-yl 3-hydroxyadamantane-1-carboxylate;3-(1,1,1,3,3-pentafluorobutan-2-yloxycarbonyl)adamantane-1-carboxylic acid is CC(F)(F)C(=O)OC12CC3CC(C1)CC(C(=O)O)(C3)C2.CC(F)(F)C(=O)OC1C2CC3CC1CC(C(=O)O)(C3)C2.CC(F)(F)C(OC(=O)C12CC3CC(CC(C(=O)O)(C3)C1)C2)C(F)(F)F.CC(F)(F)C(OC(=O)C12CC3CC(CC(O)(C3)C1)C2)C(F)(F)F.FC(F)(F)c1ccc([S+](c2ccc(I)cc2)c2ccc(C(F)(F)F)cc2)cc1.FC(F)(F)c1ccc([S+](c2ccc(I)cc2)c2ccc(C(F)(F)F)cc2)cc1.Ic1ccc(Oc2ccc([S+](c3ccccc3)c3ccccc3)cc2)cc1.Ic1ccc(Oc2ccc([S+](c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of 3-(2,2-difluoropropanoyloxy)adamantane-1-carboxylic acid;4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylic acid;bis([4-(4-iodophenoxy)phenyl]-diphenylsulfanium);bis((4-iodophenyl)-bis[4-(trifluoromethyl)phenyl]sulfanium);1,1,1,3,3-pentafluorobutan-2-yl 3-hydroxyadamantane-1-carboxylate;3-(1,1,1,3,3-pentafluorobutan-2-yloxycarbonyl)adamantane-1-carboxylic acid?
The InChIKey is DKZAFSAJZXSADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H18IOS.2C20H12F6IS.C16H19F5O4.C15H19F5O3.2C14H18F2O4/c2*25-19-11-13-20(14-12-19)26-21-15-17-24(18-16-21)27(22-7-3-1-4-8-22)23-9-5-2-6-10-23;2*21-19(22,23)13-1-7-16(8-2-13)28(18-11-5-15(27)6-12-18)17-9-3-14(4-10-17)20(24,25)26;1-13(17,18)10(16(19,20)21)25-12(24)15-5-8-2-9(6-15)4-14(3-8,7-15)11(22)23;1-12(16,17)10(15(18,19)20)23-11(21)13-3-8-2-9(4-13)6-14(22,5-8)7-13;1-12(15,16)11(19)20-14-5-8-2-9(6-14)4-13(3-8,7-14)10(17)18;1-13(15,16)12(19)20-10-8-2-7-3-9(10)6-14(4-7,5-8)11(17)18/h2*1-18H;2*1-12H;8-10H,2-7H2,1H3,(H,22,23);8-10,22H,2-7H2,1H3;8-9H,2-7H2,1H3,(H,17,18);7-10H,2-6H2,1H3,(H,17,18)/q4*+1;;;;.
What are the key properties of 3-(2,2-difluoropropanoyloxy)adamantane-1-carboxylic acid;4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylic acid;bis([4-(4-iodophenoxy)phenyl]-diphenylsulfanium);bis((4-iodophenyl)-bis[4-(trifluoromethyl)phenyl]sulfanium);1,1,1,3,3-pentafluorobutan-2-yl 3-hydroxyadamantane-1-carboxylate;3-(1,1,1,3,3-pentafluorobutan-2-yloxycarbonyl)adamantane-1-carboxylic acid?
3-(2,2-difluoropropanoyloxy)adamantane-1-carboxylic acid;4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylic acid;bis([4-(4-iodophenoxy)phenyl]-diphenylsulfanium);bis((4-iodophenyl)-bis[4-(trifluoromethyl)phenyl]sulfanium);1,1,1,3,3-pentafluorobutan-2-yl 3-hydroxyadamantane-1-carboxylate;3-(1,1,1,3,3-pentafluorobutan-2-yloxycarbonyl)adamantane-1-carboxylic acid has a molecular weight of 3302.50 g/mol, XLogP of 41.51, 29 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoropropanoyloxy)adamantane-1-carboxylic acid;4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylic acid;bis([4-(4-iodophenoxy)phenyl]-diphenylsulfanium);bis((4-iodophenyl)-bis[4-(trifluoromethyl)phenyl]sulfanium);1,1,1,3,3-pentafluorobutan-2-yl 3-hydroxyadamantane-1-carboxylate;3-(1,1,1,3,3-pentafluorobutan-2-yloxycarbonyl)adamantane-1-carboxylic acid is sourced from PubChem (CID 164973360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).