5-tert-butyl-3-chloro-2-ethoxypyridine;4-tert-butyl-1-[1-(3,5-dichlorophenyl)-2,2,2-trifluoroethyl]piperidine;1-tert-butyl-4-fluorobicyclo[2.2.2]octane;(3S)-1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-3-methylpiperidine;(3R)-1-[(1R)-1-(3,5-dichlorophenyl)ethyl]-3-propan-2-ylpiperidine;1,4-dimethyl-1-propan-2-ylcyclohexane;ethane;1-fluoro-4-methyladamantane

C96H152Cl7F5N4O — CID 159576911

IUPAC5-tert-butyl-3-chloro-2-ethoxypyridine;4-tert-butyl-1-[1-(3,5-dichlorophenyl)-2,2,2-trifluoroethyl]piperidine;1-tert-butyl-4-fluorobicyclo[2.2.2]octane;(3S)-1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-3-methylpiperidine;(3R)-1-[(1R)-1-(3,5-dichlorophenyl)ethyl]-3-propan-2-ylpiperidine;1,4-dimethyl-1-propan-2-ylcyclohexane;ethane;1-fluoro-4-methyladamantane
SMILESCC.CC.CC(C)(C)C12CCC(F)(CC1)CC2.CC(C)(C)C1CCN(C(c2cc(Cl)cc(Cl)c2)C(F)(F)F)CC1.CC(C)[C@H]1CCCN([C@H](C)c2cc(Cl)cc(Cl)c2)C1.CC1C2CC3CC1CC(F)(C3)C2.CC1CCC(C)(C(C)C)CC1.CCOc1ncc(C(C)(C)C)cc1Cl.C[C@H]1CCCN([C@@H](C)c2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C17H22Cl2F3N.C16H23Cl2N.C14H19Cl2N.C12H21F.C11H16ClNO.C11H17F.C11H22.2C2H6/c1-16(2,3)12-4-6-23(7-5-12)15(17(20,21)22)11-8-13(18)10-14(19)9-11;1-11(2)13-5-4-6-19(10-13)12(3)14-7-15(17)9-16(18)8-14;1-10-4-3-5-17(9-10)11(2)12-6-13(15)8-14(16)7-12;1-10(2,3)11-4-7-12(13,8-5-11)9-6-11;1-5-14-10-9(12)6-8(7-13-10)11(2,3)4;1-7-9-2-8-3-10(7)6-11(12,4-8)5-9;1-9(2)11(4)7-5-10(3)6-8-11;2*1-2/h8-10,12,15H,4-7H2,1-3H3;7-9,11-13H,4-6,10H2,1-3H3;6-8,10-11H,3-5,9H2,1-2H3;4-9H2,1-3H3;6-7H,5H2,1-4H3;7-10H,2-6H2,1H3;9-10H,5-8H2,1-4H3;2*1-2H3/t;12-,13+;10-,11-;;;;;;/m.10....../s1
InChIKeyMINGTQOSQAKBJX-CHFQYHBLSA-N
MW1721.46 g/mol
LogP33.17
Rot. Bonds10

About 5-tert-butyl-3-chloro-2-ethoxypyridine;4-tert-butyl-1-[1-(3,5-dichlorophenyl)-2,2,2-trifluoroethyl]piperidine;1-tert-butyl-4-fluorobicyclo[2.2.2]octane;(3S)-1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-3-methylpiperidine;(3R)-1-[(1R)-1-(3,5-dichlorophenyl)ethyl]-3-propan-2-ylpiperidine;1,4-dimethyl-1-propan-2-ylcyclohexane;ethane;1-fluoro-4-methyladamantane

5-tert-butyl-3-chloro-2-ethoxypyridine;4-tert-butyl-1-[1-(3,5-dichlorophenyl)-2,2,2-trifluoroethyl]piperidine;1-tert-butyl-4-fluorobicyclo[2.2.2]octane;(3S)-1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-3-methylpiperidine;(3R)-1-[(1R)-1-(3,5-dichlorophenyl)ethyl]-3-propan-2-ylpiperidine;1,4-dimethyl-1-propan-2-ylcyclohexane;ethane;1-fluoro-4-methyladamantane (PubChem CID 159576911) has the molecular formula C96H152Cl7F5N4O and a molecular weight of 1721.46 g/mol. Its IUPAC name is 5-tert-butyl-3-chloro-2-ethoxypyridine;4-tert-butyl-1-[1-(3,5-dichlorophenyl)-2,2,2-trifluoroethyl]piperidine;1-tert-butyl-4-fluorobicyclo[2.2.2]octane;(3S)-1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-3-methylpiperidine;(3R)-1-[(1R)-1-(3,5-dichlorophenyl)ethyl]-3-propan-2-ylpiperidine;1,4-dimethyl-1-propan-2-ylcyclohexane;ethane;1-fluoro-4-methyladamantane.

Molecular Properties

Compound Name5-tert-butyl-3-chloro-2-ethoxypyridine;4-tert-butyl-1-[1-(3,5-dichlorophenyl)-2,2,2-trifluoroethyl]piperidine;1-tert-butyl-4-fluorobicyclo[2.2.2]octane;(3S)-1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-3-methylpiperidine;(3R)-1-[(1R)-1-(3,5-dichlorophenyl)ethyl]-3-propan-2-ylpiperidine;1,4-dimethyl-1-propan-2-ylcyclohexane;ethane;1-fluoro-4-methyladamantane
PubChem CID159576911
Molecular FormulaC96H152Cl7F5N4O
Molecular Weight1721.46 g/mol
Exact Mass1716.97
IUPAC Name5-tert-butyl-3-chloro-2-ethoxypyridine;4-tert-butyl-1-[1-(3,5-dichlorophenyl)-2,2,2-trifluoroethyl]piperidine;1-tert-butyl-4-fluorobicyclo[2.2.2]octane;(3S)-1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-3-methylpiperidine;(3R)-1-[(1R)-1-(3,5-dichlorophenyl)ethyl]-3-propan-2-ylpiperidine;1,4-dimethyl-1-propan-2-ylcyclohexane;ethane;1-fluoro-4-methyladamantane
SMILESCC.CC.CC(C)(C)C12CCC(F)(CC1)CC2.CC(C)(C)C1CCN(C(c2cc(Cl)cc(Cl)c2)C(F)(F)F)CC1.CC(C)[C@H]1CCCN([C@H](C)c2cc(Cl)cc(Cl)c2)C1.CC1C2CC3CC1CC(F)(C3)C2.CC1CCC(C)(C(C)C)CC1.CCOc1ncc(C(C)(C)C)cc1Cl.C[C@H]1CCCN([C@@H](C)c2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C17H22Cl2F3N.C16H23Cl2N.C14H19Cl2N.C12H21F.C11H16ClNO.C11H17F.C11H22.2C2H6/c1-16(2,3)12-4-6-23(7-5-12)15(17(20,21)22)11-8-13(18)10-14(19)9-11;1-11(2)13-5-4-6-19(10-13)12(3)14-7-15(17)9-16(18)8-14;1-10-4-3-5-17(9-10)11(2)12-6-13(15)8-14(16)7-12;1-10(2,3)11-4-7-12(13,8-5-11)9-6-11;1-5-14-10-9(12)6-8(7-13-10)11(2,3)4;1-7-9-2-8-3-10(7)6-11(12,4-8)5-9;1-9(2)11(4)7-5-10(3)6-8-11;2*1-2/h8-10,12,15H,4-7H2,1-3H3;7-9,11-13H,4-6,10H2,1-3H3;6-8,10-11H,3-5,9H2,1-2H3;4-9H2,1-3H3;6-7H,5H2,1-4H3;7-10H,2-6H2,1H3;9-10H,5-8H2,1-4H3;2*1-2H3/t;12-,13+;10-,11-;;;;;;/m.10....../s1
InChIKeyMINGTQOSQAKBJX-CHFQYHBLSA-N
XLogP33.17
TPSA31.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms113
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001721.46
LogP ≤ 533.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-tert-butyl-3-chloro-2-ethoxypyridine;4-tert-butyl-1-[1-(3,5-dichlorophenyl)-2,2,2-trifluoroethyl]piperidine;1-tert-butyl-4-fluorobicyclo[2.2.2]octane;(3S)-1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-3-methylpiperidine;(3R)-1-[(1R)-1-(3,5-dichlorophenyl)ethyl]-3-propan-2-ylpiperidine;1,4-dimethyl-1-propan-2-ylcyclohexane;ethane;1-fluoro-4-methyladamantane 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

1-tert-butyl-3-chloro-5-(trifluoromethoxy)benzene;5-tert-butyl-3-cyclopropyl-2-(2,2,3,3-tetrafluoropropoxy)pyridine;4-tert-butyl-1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-4-fluoropiperidine;4-tert-butyl-1-[(3,5-dichlorophenyl)-phenylmethyl]piperidine;1-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-fluoro-4-propan-2-ylpiperidine;1-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylpiperidine;1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-4-fluoro-4-propan-2-ylpiperidine;1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylpiperidine;1-[(2,6-dichlorophenyl)methyl]-4-propan-2-ylpiperidine
CID 157106268
5-tert-butyl-3-chloro-2-(2,2,3,3-tetrafluoropropoxy)pyridine;1-tert-butyl-3-chloro-5-(trifluoromethoxy)benzene;5-tert-butyl-3-cyclopropyl-2-(2,2,3,3-tetrafluoropropoxy)pyridine;4-tert-butyl-1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-4-fluoropiperidine;4-tert-butyl-1-[(3,5-dichlorophenyl)-phenylmethyl]piperidine;1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylpiperidine
CID 157512866
4-tert-butyl-2-chloro-1-methoxybenzene;5-tert-butyl-3-chloro-2-(2-methylpropoxy)pyridine;1-tert-butyl-3-chloro-5-(trifluoromethoxy)benzene;4-tert-butyl-1-[(S)-(3,5-dichlorophenyl)-phenylmethyl]piperidine;4-tert-butyl-1-[(R)-(3,5-dichlorophenyl)-phenylmethyl]piperidine;methane
CID 157859237
5-tert-butyl-3-chloro-2-ethoxypyridine;4-tert-butyl-1-[(1S)-1-(3,5-dichlorophenyl)ethyl]piperidine;4-tert-butyl-1-[(1R)-1-(3,5-dichlorophenyl)ethyl]piperidine;4-tert-butyl-1-[1-(3,5-dichlorophenyl)-2,2,2-trifluoroethyl]piperidine;1-tert-butyl-4-fluorobicyclo[2.2.2]octane;(3S)-1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-3-methylpiperidine;(3R)-1-[(1R)-1-(3,5-dichlorophenyl)ethyl]-3-propan-2-ylpiperidine;1,4-dimethyl-1-propan-2-ylcyclohexane;ethane;1-fluoro-4-methyladamantane
CID 157929188
4-tert-butyl-1-[(1R)-1-(3,5-dichlorophenyl)-2,2,2-trifluoroethyl]piperidine;4-tert-butyl-1-[(1S)-1-(3,5-dichlorophenyl)-2,2,2-trifluoroethyl]piperidine;3-chloro-5-[(4-fluoro-4-propan-2-ylpiperidin-1-yl)methyl]-2-propan-2-yloxypyridine;1-[(2-chloro-5-methylphenyl)methyl]-4-fluoro-4-propan-2-ylpiperidine;1-[(R)-(3,5-dichlorophenyl)-phenylmethyl]-3-methyl-3-propan-2-ylazetidine;1-[(S)-(3,5-dichlorophenyl)-phenylmethyl]-3-methyl-3-propan-2-ylazetidine;1-[(S)-(3,5-dichlorophenyl)-phenylmethyl]-4-propan-2-ylpiperidine
CID 158191940
5-tert-butyl-3-chloro-2-(2-methylpropoxy)pyridine;5-tert-butyl-3-cyclopropyl-2-(2-methylpropoxy)pyridine;4-tert-butyl-1-[(3,5-dichlorophenyl)methyl]piperidine;4-tert-butyl-1-[(2-fluoro-5-methylphenyl)methyl]piperidine;2-[(4-tert-butylpiperidin-1-yl)methyl]-6-cyclopropyl-4-(trifluoromethyl)pyridine;1-[(3-chloro-2-fluoro-5-methylphenyl)methyl]-4-propan-2-ylpiperidine;bis(1-chloro-4-methyladamantane);1-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-3-fluoro-3-propan-2-ylazetidine;ethane;(1S,2S,5S)-2,6,6-trimethylbicyclo[3.1.1]heptane
CID 158339570
1-tert-butyladamantane;2-tert-butyl-5-chlorobenzonitrile;5-tert-butyl-3-chloro-2-ethoxypyridine;5-tert-butyl-3-chloro-2-propan-2-yloxypyridine;5-tert-butyl-3-chloro-2-(2,2,3,3-tetrafluoropropoxy)pyridine;1-tert-butyl-3-chloro-5-(trifluoromethoxy)benzene;1-tert-butyl-3,5-dichlorobenzene;4-tert-butyl-1-[(1S)-1-(3,5-dichlorophenyl)ethyl]piperidine;4-tert-butyl-1,2-dimethylbenzene;1-[(3-chloro-2-fluoro-5-methylphenyl)methyl]-4-fluoro-4-propan-2-ylpiperidine;(3R)-1-[(2,6-dichlorophenyl)methyl]-3-methylpiperidine;ethane;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene
CID 158534811
1-Benzhydryl-3-tert-butylazetidine;1-tert-butyladamantane;5-tert-butyl-3-chloro-2-(2-methylpropoxy)pyridine;3-tert-butyl-1-[[3-chloro-5-(trifluoromethoxy)phenyl]methyl]azetidine;tert-butylcyclohexane;1-tert-butyl-4-methylcyclohexane;4-tert-butyloxane;1-tert-butyl-4-propan-2-ylcyclohexane;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;1,4-ditert-butylcyclohexane;1-(2,2-dimethylpropyl)adamantane
CID 158654654
5-tert-butyl-3-chloro-2-(2,2,3,3-tetrafluoropropoxy)pyridine;1-tert-butyl-3-chloro-5-(trifluoromethoxy)benzene;4-tert-butyl-1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]piperidine;5-tert-butyl-3-cyclopropyl-2-(2,2,3,3-tetrafluoropropoxy)pyridine;1-tert-butyl-3,5-dichlorobenzene;4-tert-butyl-1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-4-fluoropiperidine;4-tert-butyl-1-[1-(2,4-dichlorophenyl)ethyl]piperidine;4-tert-butyl-1-[(3,5-dichlorophenyl)-phenylmethyl]piperidine;1-chloro-3-propan-2-yl-5-(trifluoromethoxy)benzene;1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylpiperidine;1-[(3,4-dichlorophenyl)methyl]-4-propan-2-ylpiperidine
CID 158820887
2-chloro-1-fluoro-4-[(2S)-1-methoxy-3-methylbutan-2-yl]benzene;2-chloro-1-fluoro-4-[(2R)-1-methoxy-3-methylbutan-2-yl]benzene;2-chloro-1-methoxy-4-(2-methylpropyl)benzene;3-chloro-5-(2-methylpropyl)-2-(2,2,2-trifluoroethoxy)pyridine;1,3-dichloro-5-[(2S)-1-methoxy-3-methylbutan-2-yl]benzene;1,3-dichloro-5-[(2R)-1-methoxy-3-methylbutan-2-yl]benzene;3-(3,5-dichlorophenyl)-3-propan-2-yloxetane;1-fluoro-4-[(2R)-1-methoxy-3-methylbutan-2-yl]-2-(trifluoromethyl)benzene;1-fluoro-4-[(2S)-1-methoxy-3-methylbutan-2-yl]-2-(trifluoromethyl)benzene;1-fluoro-3-[(2R)-3-methylbutan-2-yl]-5-(trifluoromethyl)benzene;1-fluoro-3-[(2S)-3-methylbutan-2-yl]-5-(trifluoromethyl)benzene;1-fluoro-4-(2-methylpropyl)-2-(trifluoromethyl)benzene
CID 159232458
5-Tert-butyl-3-chloro-2-(2,2,3,3-tetrafluoropropoxy)pyridine;4-tert-butyl-1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]piperidine;5-tert-butyl-3-cyclopropyl-2-(2,2,3,3-tetrafluoropropoxy)pyridine;1-tert-butyl-3,5-dichlorobenzene;4-tert-butyl-1-[1-(2,4-dichlorophenyl)ethyl]piperidine;1-chloro-3-propan-2-yl-5-(trifluoromethoxy)benzene;1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylpiperidine;1-[(3,4-dichlorophenyl)methyl]-4-propan-2-ylpiperidine
CID 159511412
5-Tert-butyl-3-chloro-2-(2,2,3,3-tetrafluoropropoxy)pyridine;4-tert-butyl-1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]piperidine;5-tert-butyl-3-cyclopropyl-2-(2,2,3,3-tetrafluoropropoxy)pyridine;4-tert-butyl-1-[1-(2,4-dichlorophenyl)ethyl]piperidine;4-tert-butyl-1-[(3,5-dichlorophenyl)-phenylmethyl]piperidine;1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylpiperidine;1-[(3,4-dichlorophenyl)methyl]-4-propan-2-ylpiperidine
CID 159691830

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-chloro-2-ethoxypyridine;4-tert-butyl-1-[1-(3,5-dichlorophenyl)-2,2,2-trifluoroethyl]piperidine;1-tert-butyl-4-fluorobicyclo[2.2.2]octane;(3S)-1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-3-methylpiperidine;(3R)-1-[(1R)-1-(3,5-dichlorophenyl)ethyl]-3-propan-2-ylpiperidine;1,4-dimethyl-1-propan-2-ylcyclohexane;ethane;1-fluoro-4-methyladamantane?
The IUPAC name of 5-tert-butyl-3-chloro-2-ethoxypyridine;4-tert-butyl-1-[1-(3,5-dichlorophenyl)-2,2,2-trifluoroethyl]piperidine;1-tert-butyl-4-fluorobicyclo[2.2.2]octane;(3S)-1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-3-methylpiperidine;(3R)-1-[(1R)-1-(3,5-dichlorophenyl)ethyl]-3-propan-2-ylpiperidine;1,4-dimethyl-1-propan-2-ylcyclohexane;ethane;1-fluoro-4-methyladamantane (CID 159576911) is 5-tert-butyl-3-chloro-2-ethoxypyridine;4-tert-butyl-1-[1-(3,5-dichlorophenyl)-2,2,2-trifluoroethyl]piperidine;1-tert-butyl-4-fluorobicyclo[2.2.2]octane;(3S)-1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-3-methylpiperidine;(3R)-1-[(1R)-1-(3,5-dichlorophenyl)ethyl]-3-propan-2-ylpiperidine;1,4-dimethyl-1-propan-2-ylcyclohexane;ethane;1-fluoro-4-methyladamantane.
What is the SMILES notation for 5-tert-butyl-3-chloro-2-ethoxypyridine;4-tert-butyl-1-[1-(3,5-dichlorophenyl)-2,2,2-trifluoroethyl]piperidine;1-tert-butyl-4-fluorobicyclo[2.2.2]octane;(3S)-1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-3-methylpiperidine;(3R)-1-[(1R)-1-(3,5-dichlorophenyl)ethyl]-3-propan-2-ylpiperidine;1,4-dimethyl-1-propan-2-ylcyclohexane;ethane;1-fluoro-4-methyladamantane?
The canonical SMILES for 5-tert-butyl-3-chloro-2-ethoxypyridine;4-tert-butyl-1-[1-(3,5-dichlorophenyl)-2,2,2-trifluoroethyl]piperidine;1-tert-butyl-4-fluorobicyclo[2.2.2]octane;(3S)-1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-3-methylpiperidine;(3R)-1-[(1R)-1-(3,5-dichlorophenyl)ethyl]-3-propan-2-ylpiperidine;1,4-dimethyl-1-propan-2-ylcyclohexane;ethane;1-fluoro-4-methyladamantane is CC.CC.CC(C)(C)C12CCC(F)(CC1)CC2.CC(C)(C)C1CCN(C(c2cc(Cl)cc(Cl)c2)C(F)(F)F)CC1.CC(C)[C@H]1CCCN([C@H](C)c2cc(Cl)cc(Cl)c2)C1.CC1C2CC3CC1CC(F)(C3)C2.CC1CCC(C)(C(C)C)CC1.CCOc1ncc(C(C)(C)C)cc1Cl.C[C@H]1CCCN([C@@H](C)c2cc(Cl)cc(Cl)c2)C1.
What is the InChIKey of 5-tert-butyl-3-chloro-2-ethoxypyridine;4-tert-butyl-1-[1-(3,5-dichlorophenyl)-2,2,2-trifluoroethyl]piperidine;1-tert-butyl-4-fluorobicyclo[2.2.2]octane;(3S)-1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-3-methylpiperidine;(3R)-1-[(1R)-1-(3,5-dichlorophenyl)ethyl]-3-propan-2-ylpiperidine;1,4-dimethyl-1-propan-2-ylcyclohexane;ethane;1-fluoro-4-methyladamantane?
The InChIKey is MINGTQOSQAKBJX-CHFQYHBLSA-N. The full InChI is InChI=1S/C17H22Cl2F3N.C16H23Cl2N.C14H19Cl2N.C12H21F.C11H16ClNO.C11H17F.C11H22.2C2H6/c1-16(2,3)12-4-6-23(7-5-12)15(17(20,21)22)11-8-13(18)10-14(19)9-11;1-11(2)13-5-4-6-19(10-13)12(3)14-7-15(17)9-16(18)8-14;1-10-4-3-5-17(9-10)11(2)12-6-13(15)8-14(16)7-12;1-10(2,3)11-4-7-12(13,8-5-11)9-6-11;1-5-14-10-9(12)6-8(7-13-10)11(2,3)4;1-7-9-2-8-3-10(7)6-11(12,4-8)5-9;1-9(2)11(4)7-5-10(3)6-8-11;2*1-2/h8-10,12,15H,4-7H2,1-3H3;7-9,11-13H,4-6,10H2,1-3H3;6-8,10-11H,3-5,9H2,1-2H3;4-9H2,1-3H3;6-7H,5H2,1-4H3;7-10H,2-6H2,1H3;9-10H,5-8H2,1-4H3;2*1-2H3/t;12-,13+;10-,11-;;;;;;/m.10....../s1.
What are the key properties of 5-tert-butyl-3-chloro-2-ethoxypyridine;4-tert-butyl-1-[1-(3,5-dichlorophenyl)-2,2,2-trifluoroethyl]piperidine;1-tert-butyl-4-fluorobicyclo[2.2.2]octane;(3S)-1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-3-methylpiperidine;(3R)-1-[(1R)-1-(3,5-dichlorophenyl)ethyl]-3-propan-2-ylpiperidine;1,4-dimethyl-1-propan-2-ylcyclohexane;ethane;1-fluoro-4-methyladamantane?
5-tert-butyl-3-chloro-2-ethoxypyridine;4-tert-butyl-1-[1-(3,5-dichlorophenyl)-2,2,2-trifluoroethyl]piperidine;1-tert-butyl-4-fluorobicyclo[2.2.2]octane;(3S)-1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-3-methylpiperidine;(3R)-1-[(1R)-1-(3,5-dichlorophenyl)ethyl]-3-propan-2-ylpiperidine;1,4-dimethyl-1-propan-2-ylcyclohexane;ethane;1-fluoro-4-methyladamantane has a molecular weight of 1721.46 g/mol, XLogP of 33.17, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-chloro-2-ethoxypyridine;4-tert-butyl-1-[1-(3,5-dichlorophenyl)-2,2,2-trifluoroethyl]piperidine;1-tert-butyl-4-fluorobicyclo[2.2.2]octane;(3S)-1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-3-methylpiperidine;(3R)-1-[(1R)-1-(3,5-dichlorophenyl)ethyl]-3-propan-2-ylpiperidine;1,4-dimethyl-1-propan-2-ylcyclohexane;ethane;1-fluoro-4-methyladamantane is sourced from PubChem (CID 159576911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).