1-chloro-3-fluoro-2-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;2-fluoro-2-methyl-5-propan-2-yl-1,3-benzodioxole;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;1-phenoxy-3-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;3-propan-2-ylisoquinoline;4-(2-propan-2-ylphenyl)morpholine;bis(1-(3-propan-2-ylphenyl)piperidine);1-(2-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine

C267H350ClF5N16O4 — CID 159255576

IUPAC1-chloro-3-fluoro-2-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;2-fluoro-2-methyl-5-propan-2-yl-1,3-benzodioxole;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;1-phenoxy-3-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;3-propan-2-ylisoquinoline;4-(2-propan-2-ylphenyl)morpholine;bis(1-(3-propan-2-ylphenyl)piperidine);1-(2-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine
SMILESCC(C)c1c(F)cccc1Cl.CC(C)c1cc2ccccc2cn1.CC(C)c1ccc2c(c1)OC(C)(F)O2.CC(C)c1cccc(-c2ccccc2)c1.CC(C)c1cccc(C2CCCC2)c1.CC(C)c1cccc(C2CCCCC2)c1.CC(C)c1cccc(N2CCCC2)c1.CC(C)c1cccc(N2CCCCC2)c1.CC(C)c1cccc(N2CCCCC2)c1.CC(C)c1cccc(Oc2ccccc2)c1.CC(C)c1ccccc1N1CCCC1.CC(C)c1ccccc1N1CCOCC1.CC(C)c1cnc2ccccc2c1.CC(C)c1cnc2ccccc2n1.CC(C)c1ncc2ccccc2n1.CC(C)c1ncccc1C(F)(F)F.Cc1cc(C(C)C)ccn1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1cccc(C(C)C)n1.Cc1ccccc1C(C)C.Cc1ccnc(C(C)C)c1.Cc1cncc(C(C)C)c1
InChIInChI=1S/C15H16O.C15H22.C15H16.2C14H21N.C14H20.C13H19NO.2C13H19N.2C12H13N.C11H13FO2.2C11H12N2.3C10H14.C9H10ClF.C9H10F3N.4C9H13N/c1-12(2)13-7-6-10-15(11-13)16-14-8-4-3-5-9-14;2*1-12(2)14-9-6-10-15(11-14)13-7-4-3-5-8-13;2*1-12(2)13-7-6-8-14(11-13)15-9-4-3-5-10-15;1-11(2)13-8-5-9-14(10-13)12-6-3-4-7-12;1-11(2)12-5-3-4-6-13(12)14-7-9-15-10-8-14;1-11(2)12-6-5-7-13(10-12)14-8-3-4-9-14;1-11(2)12-7-3-4-8-13(12)14-9-5-6-10-14;1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-9(2)12-7-10-5-3-4-6-11(10)8-13-12;1-7(2)8-4-5-9-10(6-8)14-11(3,12)13-9;1-8(2)11-7-12-9-5-3-4-6-10(9)13-11;1-8(2)11-12-7-9-5-3-4-6-10(9)13-11;2*1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-7-5-4-6-9(10)3;1-6(2)9-7(10)4-3-5-8(9)11;1-6(2)8-7(9(10,11)12)4-3-5-13-8;1-7(2)9-4-8(3)5-10-6-9;1-7(2)9-4-5-10-8(3)6-9;1-7(2)9-6-8(3)4-5-10-9;1-7(2)9-6-4-5-8(3)10-9/h3-12H,1-2H3;6,9-13H,3-5,7-8H2,1-2H3;3-12H,1-2H3;2*6-8,11-12H,3-5,9-10H2,1-2H3;5,8-12H,3-4,6-7H2,1-2H3;3-6,11H,7-10H2,1-2H3;5-7,10-11H,3-4,8-9H2,1-2H3;3-4,7-8,11H,5-6,9-10H2,1-2H3;2*3-9H,1-2H3;4-7H,1-3H3;2*3-8H,1-2H3;3*4-8H,1-3H3;3-6H,1-2H3;3-6H,1-2H3;4*4-7H,1-3H3
InChIKeyKVVUONONWVZMNG-UHFFFAOYSA-N
MW3978.29 g/mol
LogP77.15
Rot. Bonds33

About 1-chloro-3-fluoro-2-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;2-fluoro-2-methyl-5-propan-2-yl-1,3-benzodioxole;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;1-phenoxy-3-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;3-propan-2-ylisoquinoline;4-(2-propan-2-ylphenyl)morpholine;bis(1-(3-propan-2-ylphenyl)piperidine);1-(2-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine

1-chloro-3-fluoro-2-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;2-fluoro-2-methyl-5-propan-2-yl-1,3-benzodioxole;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;1-phenoxy-3-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;3-propan-2-ylisoquinoline;4-(2-propan-2-ylphenyl)morpholine;bis(1-(3-propan-2-ylphenyl)piperidine);1-(2-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine (PubChem CID 159255576) has the molecular formula C267H350ClF5N16O4 and a molecular weight of 3978.29 g/mol. Its IUPAC name is 1-chloro-3-fluoro-2-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;2-fluoro-2-methyl-5-propan-2-yl-1,3-benzodioxole;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;1-phenoxy-3-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;3-propan-2-ylisoquinoline;4-(2-propan-2-ylphenyl)morpholine;bis(1-(3-propan-2-ylphenyl)piperidine);1-(2-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name1-chloro-3-fluoro-2-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;2-fluoro-2-methyl-5-propan-2-yl-1,3-benzodioxole;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;1-phenoxy-3-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;3-propan-2-ylisoquinoline;4-(2-propan-2-ylphenyl)morpholine;bis(1-(3-propan-2-ylphenyl)piperidine);1-(2-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine
PubChem CID159255576
Molecular FormulaC267H350ClF5N16O4
Molecular Weight3978.29 g/mol
Exact Mass3974.73
IUPAC Name1-chloro-3-fluoro-2-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;2-fluoro-2-methyl-5-propan-2-yl-1,3-benzodioxole;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;1-phenoxy-3-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;3-propan-2-ylisoquinoline;4-(2-propan-2-ylphenyl)morpholine;bis(1-(3-propan-2-ylphenyl)piperidine);1-(2-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine
SMILESCC(C)c1c(F)cccc1Cl.CC(C)c1cc2ccccc2cn1.CC(C)c1ccc2c(c1)OC(C)(F)O2.CC(C)c1cccc(-c2ccccc2)c1.CC(C)c1cccc(C2CCCC2)c1.CC(C)c1cccc(C2CCCCC2)c1.CC(C)c1cccc(N2CCCC2)c1.CC(C)c1cccc(N2CCCCC2)c1.CC(C)c1cccc(N2CCCCC2)c1.CC(C)c1cccc(Oc2ccccc2)c1.CC(C)c1ccccc1N1CCCC1.CC(C)c1ccccc1N1CCOCC1.CC(C)c1cnc2ccccc2c1.CC(C)c1cnc2ccccc2n1.CC(C)c1ncc2ccccc2n1.CC(C)c1ncccc1C(F)(F)F.Cc1cc(C(C)C)ccn1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1cccc(C(C)C)n1.Cc1ccccc1C(C)C.Cc1ccnc(C(C)C)c1.Cc1cncc(C(C)C)c1
InChIInChI=1S/C15H16O.C15H22.C15H16.2C14H21N.C14H20.C13H19NO.2C13H19N.2C12H13N.C11H13FO2.2C11H12N2.3C10H14.C9H10ClF.C9H10F3N.4C9H13N/c1-12(2)13-7-6-10-15(11-13)16-14-8-4-3-5-9-14;2*1-12(2)14-9-6-10-15(11-14)13-7-4-3-5-8-13;2*1-12(2)13-7-6-8-14(11-13)15-9-4-3-5-10-15;1-11(2)13-8-5-9-14(10-13)12-6-3-4-7-12;1-11(2)12-5-3-4-6-13(12)14-7-9-15-10-8-14;1-11(2)12-6-5-7-13(10-12)14-8-3-4-9-14;1-11(2)12-7-3-4-8-13(12)14-9-5-6-10-14;1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-9(2)12-7-10-5-3-4-6-11(10)8-13-12;1-7(2)8-4-5-9-10(6-8)14-11(3,12)13-9;1-8(2)11-7-12-9-5-3-4-6-10(9)13-11;1-8(2)11-12-7-9-5-3-4-6-10(9)13-11;2*1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-7-5-4-6-9(10)3;1-6(2)9-7(10)4-3-5-8(9)11;1-6(2)8-7(9(10,11)12)4-3-5-13-8;1-7(2)9-4-8(3)5-10-6-9;1-7(2)9-4-5-10-8(3)6-9;1-7(2)9-6-8(3)4-5-10-9;1-7(2)9-6-4-5-8(3)10-9/h3-12H,1-2H3;6,9-13H,3-5,7-8H2,1-2H3;3-12H,1-2H3;2*6-8,11-12H,3-5,9-10H2,1-2H3;5,8-12H,3-4,6-7H2,1-2H3;3-6,11H,7-10H2,1-2H3;5-7,10-11H,3-4,8-9H2,1-2H3;3-4,7-8,11H,5-6,9-10H2,1-2H3;2*3-9H,1-2H3;4-7H,1-3H3;2*3-8H,1-2H3;3*4-8H,1-3H3;3-6H,1-2H3;3-6H,1-2H3;4*4-7H,1-3H3
InChIKeyKVVUONONWVZMNG-UHFFFAOYSA-N
XLogP77.15
TPSA194.91 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds33
Heavy Atoms293
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003978.29
LogP ≤ 577.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 1-chloro-3-fluoro-2-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;2-fluoro-2-methyl-5-propan-2-yl-1,3-benzodioxole;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;1-phenoxy-3-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;3-propan-2-ylisoquinoline;4-(2-propan-2-ylphenyl)morpholine;bis(1-(3-propan-2-ylphenyl)piperidine);1-(2-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-fluoro-2-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;2-fluoro-2-methyl-5-propan-2-yl-1,3-benzodioxole;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;1-phenoxy-3-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;3-propan-2-ylisoquinoline;4-(2-propan-2-ylphenyl)morpholine;bis(1-(3-propan-2-ylphenyl)piperidine);1-(2-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine?
The IUPAC name of 1-chloro-3-fluoro-2-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;2-fluoro-2-methyl-5-propan-2-yl-1,3-benzodioxole;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;1-phenoxy-3-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;3-propan-2-ylisoquinoline;4-(2-propan-2-ylphenyl)morpholine;bis(1-(3-propan-2-ylphenyl)piperidine);1-(2-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine (CID 159255576) is 1-chloro-3-fluoro-2-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;2-fluoro-2-methyl-5-propan-2-yl-1,3-benzodioxole;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;1-phenoxy-3-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;3-propan-2-ylisoquinoline;4-(2-propan-2-ylphenyl)morpholine;bis(1-(3-propan-2-ylphenyl)piperidine);1-(2-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 1-chloro-3-fluoro-2-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;2-fluoro-2-methyl-5-propan-2-yl-1,3-benzodioxole;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;1-phenoxy-3-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;3-propan-2-ylisoquinoline;4-(2-propan-2-ylphenyl)morpholine;bis(1-(3-propan-2-ylphenyl)piperidine);1-(2-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine?
The canonical SMILES for 1-chloro-3-fluoro-2-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;2-fluoro-2-methyl-5-propan-2-yl-1,3-benzodioxole;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;1-phenoxy-3-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;3-propan-2-ylisoquinoline;4-(2-propan-2-ylphenyl)morpholine;bis(1-(3-propan-2-ylphenyl)piperidine);1-(2-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine is CC(C)c1c(F)cccc1Cl.CC(C)c1cc2ccccc2cn1.CC(C)c1ccc2c(c1)OC(C)(F)O2.CC(C)c1cccc(-c2ccccc2)c1.CC(C)c1cccc(C2CCCC2)c1.CC(C)c1cccc(C2CCCCC2)c1.CC(C)c1cccc(N2CCCC2)c1.CC(C)c1cccc(N2CCCCC2)c1.CC(C)c1cccc(N2CCCCC2)c1.CC(C)c1cccc(Oc2ccccc2)c1.CC(C)c1ccccc1N1CCCC1.CC(C)c1ccccc1N1CCOCC1.CC(C)c1cnc2ccccc2c1.CC(C)c1cnc2ccccc2n1.CC(C)c1ncc2ccccc2n1.CC(C)c1ncccc1C(F)(F)F.Cc1cc(C(C)C)ccn1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1cccc(C(C)C)n1.Cc1ccccc1C(C)C.Cc1ccnc(C(C)C)c1.Cc1cncc(C(C)C)c1.
What is the InChIKey of 1-chloro-3-fluoro-2-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;2-fluoro-2-methyl-5-propan-2-yl-1,3-benzodioxole;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;1-phenoxy-3-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;3-propan-2-ylisoquinoline;4-(2-propan-2-ylphenyl)morpholine;bis(1-(3-propan-2-ylphenyl)piperidine);1-(2-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine?
The InChIKey is KVVUONONWVZMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O.C15H22.C15H16.2C14H21N.C14H20.C13H19NO.2C13H19N.2C12H13N.C11H13FO2.2C11H12N2.3C10H14.C9H10ClF.C9H10F3N.4C9H13N/c1-12(2)13-7-6-10-15(11-13)16-14-8-4-3-5-9-14;2*1-12(2)14-9-6-10-15(11-14)13-7-4-3-5-8-13;2*1-12(2)13-7-6-8-14(11-13)15-9-4-3-5-10-15;1-11(2)13-8-5-9-14(10-13)12-6-3-4-7-12;1-11(2)12-5-3-4-6-13(12)14-7-9-15-10-8-14;1-11(2)12-6-5-7-13(10-12)14-8-3-4-9-14;1-11(2)12-7-3-4-8-13(12)14-9-5-6-10-14;1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-9(2)12-7-10-5-3-4-6-11(10)8-13-12;1-7(2)8-4-5-9-10(6-8)14-11(3,12)13-9;1-8(2)11-7-12-9-5-3-4-6-10(9)13-11;1-8(2)11-12-7-9-5-3-4-6-10(9)13-11;2*1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-7-5-4-6-9(10)3;1-6(2)9-7(10)4-3-5-8(9)11;1-6(2)8-7(9(10,11)12)4-3-5-13-8;1-7(2)9-4-8(3)5-10-6-9;1-7(2)9-4-5-10-8(3)6-9;1-7(2)9-6-8(3)4-5-10-9;1-7(2)9-6-4-5-8(3)10-9/h3-12H,1-2H3;6,9-13H,3-5,7-8H2,1-2H3;3-12H,1-2H3;2*6-8,11-12H,3-5,9-10H2,1-2H3;5,8-12H,3-4,6-7H2,1-2H3;3-6,11H,7-10H2,1-2H3;5-7,10-11H,3-4,8-9H2,1-2H3;3-4,7-8,11H,5-6,9-10H2,1-2H3;2*3-9H,1-2H3;4-7H,1-3H3;2*3-8H,1-2H3;3*4-8H,1-3H3;3-6H,1-2H3;3-6H,1-2H3;4*4-7H,1-3H3.
What are the key properties of 1-chloro-3-fluoro-2-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;2-fluoro-2-methyl-5-propan-2-yl-1,3-benzodioxole;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;1-phenoxy-3-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;3-propan-2-ylisoquinoline;4-(2-propan-2-ylphenyl)morpholine;bis(1-(3-propan-2-ylphenyl)piperidine);1-(2-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine?
1-chloro-3-fluoro-2-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;2-fluoro-2-methyl-5-propan-2-yl-1,3-benzodioxole;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;1-phenoxy-3-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;3-propan-2-ylisoquinoline;4-(2-propan-2-ylphenyl)morpholine;bis(1-(3-propan-2-ylphenyl)piperidine);1-(2-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine has a molecular weight of 3978.29 g/mol, XLogP of 77.15, 33 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-fluoro-2-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;2-fluoro-2-methyl-5-propan-2-yl-1,3-benzodioxole;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;1-phenoxy-3-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;3-propan-2-ylisoquinoline;4-(2-propan-2-ylphenyl)morpholine;bis(1-(3-propan-2-ylphenyl)piperidine);1-(2-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 159255576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).