[3-(4-tert-butylphenyl)-1-adamantyl]methyl 2,2-difluoropropanoate;[3-(2,4-dimethylphenyl)-1-adamantyl]methyl 2,2-difluoropropanoate;[3-(10-methylanthracen-9-yl)-1-adamantyl]methyl 2,2-difluoropropanoate;[3-(4-methyl-9H-fluoren-1-yl)-1-adamantyl]methyl 2,2-difluoropropanoate;[3-(4-methylnaphthalen-1-yl)-1-adamantyl]methyl 2,2-difluoropropanoate;[3-(2,4,6-trimethylphenyl)-1-adamantyl]methyl 2,2-difluoropropanoate

C151H178F12O12 — CID 159158598

IUPAC[3-(4-tert-butylphenyl)-1-adamantyl]methyl 2,2-difluoropropanoate;[3-(2,4-dimethylphenyl)-1-adamantyl]methyl 2,2-difluoropropanoate;[3-(10-methylanthracen-9-yl)-1-adamantyl]methyl 2,2-difluoropropanoate;[3-(4-methyl-9H-fluoren-1-yl)-1-adamantyl]methyl 2,2-difluoropropanoate;[3-(4-methylnaphthalen-1-yl)-1-adamantyl]methyl 2,2-difluoropropanoate;[3-(2,4,6-trimethylphenyl)-1-adamantyl]methyl 2,2-difluoropropanoate
SMILESCC(F)(F)C(=O)OCC12CC3CC(C1)CC(c1ccc(C(C)(C)C)cc1)(C3)C2.Cc1c2ccccc2c(C23CC4CC(CC(COC(=O)C(C)(F)F)(C4)C2)C3)c2ccccc12.Cc1cc(C)c(C23CC4CC(CC(COC(=O)C(C)(F)F)(C4)C2)C3)c(C)c1.Cc1ccc(C23CC4CC(CC(COC(=O)C(C)(F)F)(C4)C2)C3)c(C)c1.Cc1ccc(C23CC4CC(CC(COC(=O)C(C)(F)F)(C4)C2)C3)c2c1-c1ccccc1C2.Cc1ccc(C23CC4CC(CC(COC(=O)C(C)(F)F)(C4)C2)C3)c2ccccc12
InChIInChI=1S/C29H30F2O2.C28H30F2O2.C25H28F2O2.C24H32F2O2.C23H30F2O2.C22H28F2O2/c1-18-21-7-3-5-9-23(21)25(24-10-6-4-8-22(18)24)29-14-19-11-20(15-29)13-28(12-19,16-29)17-33-26(32)27(2,30)31;1-17-7-8-23(22-10-20-5-3-4-6-21(20)24(17)22)28-13-18-9-19(14-28)12-27(11-18,15-28)16-32-25(31)26(2,29)30;1-16-7-8-21(20-6-4-3-5-19(16)20)25-12-17-9-18(13-25)11-24(10-17,14-25)15-29-22(28)23(2,26)27;1-21(2,3)18-5-7-19(8-6-18)24-12-16-9-17(13-24)11-23(10-16,14-24)15-28-20(27)22(4,25)26;1-14-5-15(2)19(16(3)6-14)23-10-17-7-18(11-23)9-22(8-17,12-23)13-27-20(26)21(4,24)25;1-14-4-5-18(15(2)6-14)22-10-16-7-17(11-22)9-21(8-16,12-22)13-26-19(25)20(3,23)24/h3-10,19-20H,11-17H2,1-2H3;3-8,18-19H,9-16H2,1-2H3;3-8,17-18H,9-15H2,1-2H3;5-8,16-17H,9-15H2,1-4H3;5-6,17-18H,7-13H2,1-4H3;4-6,16-17H,7-13H2,1-3H3
InChIKeyKKFAWNOHVLLSDS-UHFFFAOYSA-N
MW2413.05 g/mol
LogP37.13
Rot. Bonds24

About [3-(4-tert-butylphenyl)-1-adamantyl]methyl 2,2-difluoropropanoate;[3-(2,4-dimethylphenyl)-1-adamantyl]methyl 2,2-difluoropropanoate;[3-(10-methylanthracen-9-yl)-1-adamantyl]methyl 2,2-difluoropropanoate;[3-(4-methyl-9H-fluoren-1-yl)-1-adamantyl]methyl 2,2-difluoropropanoate;[3-(4-methylnaphthalen-1-yl)-1-adamantyl]methyl 2,2-difluoropropanoate;[3-(2,4,6-trimethylphenyl)-1-adamantyl]methyl 2,2-difluoropropanoate

[3-(4-tert-butylphenyl)-1-adamantyl]methyl 2,2-difluoropropanoate;[3-(2,4-dimethylphenyl)-1-adamantyl]methyl 2,2-difluoropropanoate;[3-(10-methylanthracen-9-yl)-1-adamantyl]methyl 2,2-difluoropropanoate;[3-(4-methyl-9H-fluoren-1-yl)-1-adamantyl]methyl 2,2-difluoropropanoate;[3-(4-methylnaphthalen-1-yl)-1-adamantyl]methyl 2,2-difluoropropanoate;[3-(2,4,6-trimethylphenyl)-1-adamantyl]methyl 2,2-difluoropropanoate (PubChem CID 159158598) has the molecular formula C151H178F12O12 and a molecular weight of 2413.05 g/mol. Its IUPAC name is [3-(4-tert-butylphenyl)-1-adamantyl]methyl 2,2-difluoropropanoate;[3-(2,4-dimethylphenyl)-1-adamantyl]methyl 2,2-difluoropropanoate;[3-(10-methylanthracen-9-yl)-1-adamantyl]methyl 2,2-difluoropropanoate;[3-(4-methyl-9H-fluoren-1-yl)-1-adamantyl]methyl 2,2-difluoropropanoate;[3-(4-methylnaphthalen-1-yl)-1-adamantyl]methyl 2,2-difluoropropanoate;[3-(2,4,6-trimethylphenyl)-1-adamantyl]methyl 2,2-difluoropropanoate.

Molecular Properties

Compound Name[3-(4-tert-butylphenyl)-1-adamantyl]methyl 2,2-difluoropropanoate;[3-(2,4-dimethylphenyl)-1-adamantyl]methyl 2,2-difluoropropanoate;[3-(10-methylanthracen-9-yl)-1-adamantyl]methyl 2,2-difluoropropanoate;[3-(4-methyl-9H-fluoren-1-yl)-1-adamantyl]methyl 2,2-difluoropropanoate;[3-(4-methylnaphthalen-1-yl)-1-adamantyl]methyl 2,2-difluoropropanoate;[3-(2,4,6-trimethylphenyl)-1-adamantyl]methyl 2,2-difluoropropanoate
PubChem CID159158598
Molecular FormulaC151H178F12O12
Molecular Weight2413.05 g/mol
Exact Mass2411.31
IUPAC Name[3-(4-tert-butylphenyl)-1-adamantyl]methyl 2,2-difluoropropanoate;[3-(2,4-dimethylphenyl)-1-adamantyl]methyl 2,2-difluoropropanoate;[3-(10-methylanthracen-9-yl)-1-adamantyl]methyl 2,2-difluoropropanoate;[3-(4-methyl-9H-fluoren-1-yl)-1-adamantyl]methyl 2,2-difluoropropanoate;[3-(4-methylnaphthalen-1-yl)-1-adamantyl]methyl 2,2-difluoropropanoate;[3-(2,4,6-trimethylphenyl)-1-adamantyl]methyl 2,2-difluoropropanoate
SMILESCC(F)(F)C(=O)OCC12CC3CC(C1)CC(c1ccc(C(C)(C)C)cc1)(C3)C2.Cc1c2ccccc2c(C23CC4CC(CC(COC(=O)C(C)(F)F)(C4)C2)C3)c2ccccc12.Cc1cc(C)c(C23CC4CC(CC(COC(=O)C(C)(F)F)(C4)C2)C3)c(C)c1.Cc1ccc(C23CC4CC(CC(COC(=O)C(C)(F)F)(C4)C2)C3)c(C)c1.Cc1ccc(C23CC4CC(CC(COC(=O)C(C)(F)F)(C4)C2)C3)c2c1-c1ccccc1C2.Cc1ccc(C23CC4CC(CC(COC(=O)C(C)(F)F)(C4)C2)C3)c2ccccc12
InChIInChI=1S/C29H30F2O2.C28H30F2O2.C25H28F2O2.C24H32F2O2.C23H30F2O2.C22H28F2O2/c1-18-21-7-3-5-9-23(21)25(24-10-6-4-8-22(18)24)29-14-19-11-20(15-29)13-28(12-19,16-29)17-33-26(32)27(2,30)31;1-17-7-8-23(22-10-20-5-3-4-6-21(20)24(17)22)28-13-18-9-19(14-28)12-27(11-18,15-28)16-32-25(31)26(2,29)30;1-16-7-8-21(20-6-4-3-5-19(16)20)25-12-17-9-18(13-25)11-24(10-17,14-25)15-29-22(28)23(2,26)27;1-21(2,3)18-5-7-19(8-6-18)24-12-16-9-17(13-24)11-23(10-16,14-24)15-28-20(27)22(4,25)26;1-14-5-15(2)19(16(3)6-14)23-10-17-7-18(11-23)9-22(8-17,12-23)13-27-20(26)21(4,24)25;1-14-4-5-18(15(2)6-14)22-10-16-7-17(11-22)9-21(8-16,12-22)13-26-19(25)20(3,23)24/h3-10,19-20H,11-17H2,1-2H3;3-8,18-19H,9-16H2,1-2H3;3-8,17-18H,9-15H2,1-2H3;5-8,16-17H,9-15H2,1-4H3;5-6,17-18H,7-13H2,1-4H3;4-6,16-17H,7-13H2,1-3H3
InChIKeyKKFAWNOHVLLSDS-UHFFFAOYSA-N
XLogP37.13
TPSA157.80 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds24
Heavy Atoms175
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002413.05
LogP ≤ 537.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze [3-(4-tert-butylphenyl)-1-adamantyl]methyl 2,2-difluoropropanoate;[3-(2,4-dimethylphenyl)-1-adamantyl]methyl 2,2-difluoropropanoate;[3-(10-methylanthracen-9-yl)-1-adamantyl]methyl 2,2-difluoropropanoate;[3-(4-methyl-9H-fluoren-1-yl)-1-adamantyl]methyl 2,2-difluoropropanoate;[3-(4-methylnaphthalen-1-yl)-1-adamantyl]methyl 2,2-difluoropropanoate;[3-(2,4,6-trimethylphenyl)-1-adamantyl]methyl 2,2-difluoropropanoate 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

Cholesteryl-6-pyrenylhexanoate
CID 126085
3-(10-Pyrenedecanoyl)cholesterol
CID 3037298
Methyl 1-phenyl-4-[4-(trifluoromethyl)phenyl]-2,3-dihydrocyclopenta[b]naphthalene-1-carboxylate
CID 162401082
Ethyl 3-[9-[9-(3-ethoxy-2,2-difluoro-3-oxopropyl)fluoren-9-yl]fluoren-9-yl]-2,2-difluoropropanoate
CID 168329400
Cholesteryl 4-(3'-pyrenyl)butanoate
CID 192055
[3-(10-Methylanthracen-9-yl)-1-adamantyl]methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate
CID 57760367
[3-(10-Methylanthracen-9-yl)-1-adamantyl]methyl 2,2-difluoro-2-(trioxidanylsulfanyl)acetate
CID 57760368
[3-(4-methyl-9H-fluoren-1-yl)-1-adamantyl]methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate
CID 57760424
[3-(4-methyl-9H-fluoren-1-yl)-1-adamantyl]methyl 2,2-difluoro-2-(trioxidanylsulfanyl)acetate
CID 57760425
[3-(4-Methylnaphthalen-1-yl)-1-adamantyl]methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate
CID 57760569
[3-(4-Methylnaphthalen-1-yl)-1-adamantyl]methyl 2,2-difluoro-2-(trioxidanylsulfanyl)acetate
CID 57760570
[3-(4-ethyl-9H-fluoren-1-yl)-1-adamantyl]methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate
CID 57925350

Frequently Asked Questions

What is the IUPAC name of [3-(4-tert-butylphenyl)-1-adamantyl]methyl 2,2-difluoropropanoate;[3-(2,4-dimethylphenyl)-1-adamantyl]methyl 2,2-difluoropropanoate;[3-(10-methylanthracen-9-yl)-1-adamantyl]methyl 2,2-difluoropropanoate;[3-(4-methyl-9H-fluoren-1-yl)-1-adamantyl]methyl 2,2-difluoropropanoate;[3-(4-methylnaphthalen-1-yl)-1-adamantyl]methyl 2,2-difluoropropanoate;[3-(2,4,6-trimethylphenyl)-1-adamantyl]methyl 2,2-difluoropropanoate?
The IUPAC name of [3-(4-tert-butylphenyl)-1-adamantyl]methyl 2,2-difluoropropanoate;[3-(2,4-dimethylphenyl)-1-adamantyl]methyl 2,2-difluoropropanoate;[3-(10-methylanthracen-9-yl)-1-adamantyl]methyl 2,2-difluoropropanoate;[3-(4-methyl-9H-fluoren-1-yl)-1-adamantyl]methyl 2,2-difluoropropanoate;[3-(4-methylnaphthalen-1-yl)-1-adamantyl]methyl 2,2-difluoropropanoate;[3-(2,4,6-trimethylphenyl)-1-adamantyl]methyl 2,2-difluoropropanoate (CID 159158598) is [3-(4-tert-butylphenyl)-1-adamantyl]methyl 2,2-difluoropropanoate;[3-(2,4-dimethylphenyl)-1-adamantyl]methyl 2,2-difluoropropanoate;[3-(10-methylanthracen-9-yl)-1-adamantyl]methyl 2,2-difluoropropanoate;[3-(4-methyl-9H-fluoren-1-yl)-1-adamantyl]methyl 2,2-difluoropropanoate;[3-(4-methylnaphthalen-1-yl)-1-adamantyl]methyl 2,2-difluoropropanoate;[3-(2,4,6-trimethylphenyl)-1-adamantyl]methyl 2,2-difluoropropanoate.
What is the SMILES notation for [3-(4-tert-butylphenyl)-1-adamantyl]methyl 2,2-difluoropropanoate;[3-(2,4-dimethylphenyl)-1-adamantyl]methyl 2,2-difluoropropanoate;[3-(10-methylanthracen-9-yl)-1-adamantyl]methyl 2,2-difluoropropanoate;[3-(4-methyl-9H-fluoren-1-yl)-1-adamantyl]methyl 2,2-difluoropropanoate;[3-(4-methylnaphthalen-1-yl)-1-adamantyl]methyl 2,2-difluoropropanoate;[3-(2,4,6-trimethylphenyl)-1-adamantyl]methyl 2,2-difluoropropanoate?
The canonical SMILES for [3-(4-tert-butylphenyl)-1-adamantyl]methyl 2,2-difluoropropanoate;[3-(2,4-dimethylphenyl)-1-adamantyl]methyl 2,2-difluoropropanoate;[3-(10-methylanthracen-9-yl)-1-adamantyl]methyl 2,2-difluoropropanoate;[3-(4-methyl-9H-fluoren-1-yl)-1-adamantyl]methyl 2,2-difluoropropanoate;[3-(4-methylnaphthalen-1-yl)-1-adamantyl]methyl 2,2-difluoropropanoate;[3-(2,4,6-trimethylphenyl)-1-adamantyl]methyl 2,2-difluoropropanoate is CC(F)(F)C(=O)OCC12CC3CC(C1)CC(c1ccc(C(C)(C)C)cc1)(C3)C2.Cc1c2ccccc2c(C23CC4CC(CC(COC(=O)C(C)(F)F)(C4)C2)C3)c2ccccc12.Cc1cc(C)c(C23CC4CC(CC(COC(=O)C(C)(F)F)(C4)C2)C3)c(C)c1.Cc1ccc(C23CC4CC(CC(COC(=O)C(C)(F)F)(C4)C2)C3)c(C)c1.Cc1ccc(C23CC4CC(CC(COC(=O)C(C)(F)F)(C4)C2)C3)c2c1-c1ccccc1C2.Cc1ccc(C23CC4CC(CC(COC(=O)C(C)(F)F)(C4)C2)C3)c2ccccc12.
What is the InChIKey of [3-(4-tert-butylphenyl)-1-adamantyl]methyl 2,2-difluoropropanoate;[3-(2,4-dimethylphenyl)-1-adamantyl]methyl 2,2-difluoropropanoate;[3-(10-methylanthracen-9-yl)-1-adamantyl]methyl 2,2-difluoropropanoate;[3-(4-methyl-9H-fluoren-1-yl)-1-adamantyl]methyl 2,2-difluoropropanoate;[3-(4-methylnaphthalen-1-yl)-1-adamantyl]methyl 2,2-difluoropropanoate;[3-(2,4,6-trimethylphenyl)-1-adamantyl]methyl 2,2-difluoropropanoate?
The InChIKey is KKFAWNOHVLLSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30F2O2.C28H30F2O2.C25H28F2O2.C24H32F2O2.C23H30F2O2.C22H28F2O2/c1-18-21-7-3-5-9-23(21)25(24-10-6-4-8-22(18)24)29-14-19-11-20(15-29)13-28(12-19,16-29)17-33-26(32)27(2,30)31;1-17-7-8-23(22-10-20-5-3-4-6-21(20)24(17)22)28-13-18-9-19(14-28)12-27(11-18,15-28)16-32-25(31)26(2,29)30;1-16-7-8-21(20-6-4-3-5-19(16)20)25-12-17-9-18(13-25)11-24(10-17,14-25)15-29-22(28)23(2,26)27;1-21(2,3)18-5-7-19(8-6-18)24-12-16-9-17(13-24)11-23(10-16,14-24)15-28-20(27)22(4,25)26;1-14-5-15(2)19(16(3)6-14)23-10-17-7-18(11-23)9-22(8-17,12-23)13-27-20(26)21(4,24)25;1-14-4-5-18(15(2)6-14)22-10-16-7-17(11-22)9-21(8-16,12-22)13-26-19(25)20(3,23)24/h3-10,19-20H,11-17H2,1-2H3;3-8,18-19H,9-16H2,1-2H3;3-8,17-18H,9-15H2,1-2H3;5-8,16-17H,9-15H2,1-4H3;5-6,17-18H,7-13H2,1-4H3;4-6,16-17H,7-13H2,1-3H3.
What are the key properties of [3-(4-tert-butylphenyl)-1-adamantyl]methyl 2,2-difluoropropanoate;[3-(2,4-dimethylphenyl)-1-adamantyl]methyl 2,2-difluoropropanoate;[3-(10-methylanthracen-9-yl)-1-adamantyl]methyl 2,2-difluoropropanoate;[3-(4-methyl-9H-fluoren-1-yl)-1-adamantyl]methyl 2,2-difluoropropanoate;[3-(4-methylnaphthalen-1-yl)-1-adamantyl]methyl 2,2-difluoropropanoate;[3-(2,4,6-trimethylphenyl)-1-adamantyl]methyl 2,2-difluoropropanoate?
[3-(4-tert-butylphenyl)-1-adamantyl]methyl 2,2-difluoropropanoate;[3-(2,4-dimethylphenyl)-1-adamantyl]methyl 2,2-difluoropropanoate;[3-(10-methylanthracen-9-yl)-1-adamantyl]methyl 2,2-difluoropropanoate;[3-(4-methyl-9H-fluoren-1-yl)-1-adamantyl]methyl 2,2-difluoropropanoate;[3-(4-methylnaphthalen-1-yl)-1-adamantyl]methyl 2,2-difluoropropanoate;[3-(2,4,6-trimethylphenyl)-1-adamantyl]methyl 2,2-difluoropropanoate has a molecular weight of 2413.05 g/mol, XLogP of 37.13, 24 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-tert-butylphenyl)-1-adamantyl]methyl 2,2-difluoropropanoate;[3-(2,4-dimethylphenyl)-1-adamantyl]methyl 2,2-difluoropropanoate;[3-(10-methylanthracen-9-yl)-1-adamantyl]methyl 2,2-difluoropropanoate;[3-(4-methyl-9H-fluoren-1-yl)-1-adamantyl]methyl 2,2-difluoropropanoate;[3-(4-methylnaphthalen-1-yl)-1-adamantyl]methyl 2,2-difluoropropanoate;[3-(2,4,6-trimethylphenyl)-1-adamantyl]methyl 2,2-difluoropropanoate is sourced from PubChem (CID 159158598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).