carbonyl difluoride;1-chloro-4-propan-2-ylbenzene;1,6-dimethyl-2,7-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;2,7-di(propan-2-yl)-3,4-dihydro-1H-isoquinolin-4-ol;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-ol;1,4-di(propan-2-yl)piperazine;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;6-methyl-2,7-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;6-methyl-2,7-di(propan-2-yl)-3,4-dihydro-1H-isoquinolin-4-ol;1-methyl-3-propan-2-ylpyrazole;5-methyl-2-propan-2-yl-1,3-thiazole;propane;3-propan-2-yl-1,3-benzoxazol-2-one;1-propan-2-yl-3-(2,2,2-trifluoroethyl)pyrazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene

C164H248ClF13N14O6S3 — CID 161457711

IUPACcarbonyl difluoride;1-chloro-4-propan-2-ylbenzene;1,6-dimethyl-2,7-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;2,7-di(propan-2-yl)-3,4-dihydro-1H-isoquinolin-4-ol;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-ol;1,4-di(propan-2-yl)piperazine;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;6-methyl-2,7-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;6-methyl-2,7-di(propan-2-yl)-3,4-dihydro-1H-isoquinolin-4-ol;1-methyl-3-propan-2-ylpyrazole;5-methyl-2-propan-2-yl-1,3-thiazole;propane;3-propan-2-yl-1,3-benzoxazol-2-one;1-propan-2-yl-3-(2,2,2-trifluoroethyl)pyrazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene
SMILESCC(C)C1=CCN(C(C)C)CC1O.CC(C)N1CCN(C(C)C)CC1.CC(C)c1ccc(C(F)(F)F)s1.CC(C)c1ccc(Cl)cc1.CC(C)c1ccc(F)cc1.CC(C)c1ccc2c(c1)CN(C(C)C)CC2O.CC(C)c1ccn(C)n1.CC(C)c1cnc(C(F)(F)F)s1.CC(C)n1c(=O)oc2ccccc21.CC(C)n1ccc(CC(F)(F)F)n1.CCC.Cc1cc(C(C)C)ccc1F.Cc1cc2c(cc1C(C)C)C(C)N(C(C)C)CC2.Cc1cc2c(cc1C(C)C)CN(C(C)C)CC2.Cc1cc2c(cc1C(C)C)CN(C(C)C)CC2O.Cc1cnc(C(C)C)s1.O=C(F)F
InChIInChI=1S/C17H27N.C16H25NO.C16H25N.C15H23NO.C11H21NO.C10H13F.C10H22N2.C10H11NO2.C9H11Cl.C9H11F.C8H11F3N2.C8H9F3S.C7H8F3NS.C7H12N2.C7H11NS.C3H8.CF2O/c1-11(2)16-10-17-14(6)18(12(3)4)8-7-15(17)9-13(16)5;1-10(2)14-7-13-8-17(11(3)4)9-16(18)15(13)6-12(14)5;1-11(2)16-9-15-10-17(12(3)4)7-6-14(15)8-13(16)5;1-10(2)12-5-6-14-13(7-12)8-16(11(3)4)9-15(14)17;1-8(2)10-5-6-12(9(3)4)7-11(10)13;1-7(2)9-4-5-10(11)8(3)6-9;1-9(2)11-5-7-12(8-6-11)10(3)4;1-7(2)11-8-5-3-4-6-9(8)13-10(11)12;2*1-7(2)8-3-5-9(10)6-4-8;1-6(2)13-4-3-7(12-13)5-8(9,10)11;1-5(2)6-3-4-7(12-6)8(9,10)11;1-4(2)5-3-11-6(12-5)7(8,9)10;1-6(2)7-4-5-9(3)8-7;1-5(2)7-8-4-6(3)9-7;1-3-2;2-1(3)4/h9-12,14H,7-8H2,1-6H3;6-7,10-11,16,18H,8-9H2,1-5H3;8-9,11-12H,6-7,10H2,1-5H3;5-7,10-11,15,17H,8-9H2,1-4H3;5,8-9,11,13H,6-7H2,1-4H3;4-7H,1-3H3;9-10H,5-8H2,1-4H3;3-7H,1-2H3;2*3-7H,1-2H3;3-4,6H,5H2,1-2H3;3-5H,1-2H3;3-4H,1-2H3;4-6H,1-3H3;4-5H,1-3H3;3H2,1-2H3;
InChIKeyWBJLQHHNGFZUJJ-UHFFFAOYSA-N
MW2890.51 g/mol
LogP46.02
Rot. Bonds22

About carbonyl difluoride;1-chloro-4-propan-2-ylbenzene;1,6-dimethyl-2,7-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;2,7-di(propan-2-yl)-3,4-dihydro-1H-isoquinolin-4-ol;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-ol;1,4-di(propan-2-yl)piperazine;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;6-methyl-2,7-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;6-methyl-2,7-di(propan-2-yl)-3,4-dihydro-1H-isoquinolin-4-ol;1-methyl-3-propan-2-ylpyrazole;5-methyl-2-propan-2-yl-1,3-thiazole;propane;3-propan-2-yl-1,3-benzoxazol-2-one;1-propan-2-yl-3-(2,2,2-trifluoroethyl)pyrazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene

carbonyl difluoride;1-chloro-4-propan-2-ylbenzene;1,6-dimethyl-2,7-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;2,7-di(propan-2-yl)-3,4-dihydro-1H-isoquinolin-4-ol;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-ol;1,4-di(propan-2-yl)piperazine;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;6-methyl-2,7-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;6-methyl-2,7-di(propan-2-yl)-3,4-dihydro-1H-isoquinolin-4-ol;1-methyl-3-propan-2-ylpyrazole;5-methyl-2-propan-2-yl-1,3-thiazole;propane;3-propan-2-yl-1,3-benzoxazol-2-one;1-propan-2-yl-3-(2,2,2-trifluoroethyl)pyrazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene (PubChem CID 161457711) has the molecular formula C164H248ClF13N14O6S3 and a molecular weight of 2890.51 g/mol. Its IUPAC name is carbonyl difluoride;1-chloro-4-propan-2-ylbenzene;1,6-dimethyl-2,7-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;2,7-di(propan-2-yl)-3,4-dihydro-1H-isoquinolin-4-ol;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-ol;1,4-di(propan-2-yl)piperazine;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;6-methyl-2,7-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;6-methyl-2,7-di(propan-2-yl)-3,4-dihydro-1H-isoquinolin-4-ol;1-methyl-3-propan-2-ylpyrazole;5-methyl-2-propan-2-yl-1,3-thiazole;propane;3-propan-2-yl-1,3-benzoxazol-2-one;1-propan-2-yl-3-(2,2,2-trifluoroethyl)pyrazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene.

Molecular Properties

Compound Namecarbonyl difluoride;1-chloro-4-propan-2-ylbenzene;1,6-dimethyl-2,7-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;2,7-di(propan-2-yl)-3,4-dihydro-1H-isoquinolin-4-ol;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-ol;1,4-di(propan-2-yl)piperazine;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;6-methyl-2,7-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;6-methyl-2,7-di(propan-2-yl)-3,4-dihydro-1H-isoquinolin-4-ol;1-methyl-3-propan-2-ylpyrazole;5-methyl-2-propan-2-yl-1,3-thiazole;propane;3-propan-2-yl-1,3-benzoxazol-2-one;1-propan-2-yl-3-(2,2,2-trifluoroethyl)pyrazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene
PubChem CID161457711
Molecular FormulaC164H248ClF13N14O6S3
Molecular Weight2890.51 g/mol
Exact Mass2887.82
IUPAC Namecarbonyl difluoride;1-chloro-4-propan-2-ylbenzene;1,6-dimethyl-2,7-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;2,7-di(propan-2-yl)-3,4-dihydro-1H-isoquinolin-4-ol;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-ol;1,4-di(propan-2-yl)piperazine;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;6-methyl-2,7-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;6-methyl-2,7-di(propan-2-yl)-3,4-dihydro-1H-isoquinolin-4-ol;1-methyl-3-propan-2-ylpyrazole;5-methyl-2-propan-2-yl-1,3-thiazole;propane;3-propan-2-yl-1,3-benzoxazol-2-one;1-propan-2-yl-3-(2,2,2-trifluoroethyl)pyrazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene
SMILESCC(C)C1=CCN(C(C)C)CC1O.CC(C)N1CCN(C(C)C)CC1.CC(C)c1ccc(C(F)(F)F)s1.CC(C)c1ccc(Cl)cc1.CC(C)c1ccc(F)cc1.CC(C)c1ccc2c(c1)CN(C(C)C)CC2O.CC(C)c1ccn(C)n1.CC(C)c1cnc(C(F)(F)F)s1.CC(C)n1c(=O)oc2ccccc21.CC(C)n1ccc(CC(F)(F)F)n1.CCC.Cc1cc(C(C)C)ccc1F.Cc1cc2c(cc1C(C)C)C(C)N(C(C)C)CC2.Cc1cc2c(cc1C(C)C)CN(C(C)C)CC2.Cc1cc2c(cc1C(C)C)CN(C(C)C)CC2O.Cc1cnc(C(C)C)s1.O=C(F)F
InChIInChI=1S/C17H27N.C16H25NO.C16H25N.C15H23NO.C11H21NO.C10H13F.C10H22N2.C10H11NO2.C9H11Cl.C9H11F.C8H11F3N2.C8H9F3S.C7H8F3NS.C7H12N2.C7H11NS.C3H8.CF2O/c1-11(2)16-10-17-14(6)18(12(3)4)8-7-15(17)9-13(16)5;1-10(2)14-7-13-8-17(11(3)4)9-16(18)15(13)6-12(14)5;1-11(2)16-9-15-10-17(12(3)4)7-6-14(15)8-13(16)5;1-10(2)12-5-6-14-13(7-12)8-16(11(3)4)9-15(14)17;1-8(2)10-5-6-12(9(3)4)7-11(10)13;1-7(2)9-4-5-10(11)8(3)6-9;1-9(2)11-5-7-12(8-6-11)10(3)4;1-7(2)11-8-5-3-4-6-9(8)13-10(11)12;2*1-7(2)8-3-5-9(10)6-4-8;1-6(2)13-4-3-7(12-13)5-8(9,10)11;1-5(2)6-3-4-7(12-6)8(9,10)11;1-4(2)5-3-11-6(12-5)7(8,9)10;1-6(2)7-4-5-9(3)8-7;1-5(2)7-8-4-6(3)9-7;1-3-2;2-1(3)4/h9-12,14H,7-8H2,1-6H3;6-7,10-11,16,18H,8-9H2,1-5H3;8-9,11-12H,6-7,10H2,1-5H3;5-7,10-11,15,17H,8-9H2,1-4H3;5,8-9,11,13H,6-7H2,1-4H3;4-7H,1-3H3;9-10H,5-8H2,1-4H3;3-7H,1-2H3;2*3-7H,1-2H3;3-4,6H,5H2,1-2H3;3-5H,1-2H3;3-4H,1-2H3;4-6H,1-3H3;4-5H,1-3H3;3H2,1-2H3;
InChIKeyWBJLQHHNGFZUJJ-UHFFFAOYSA-N
XLogP46.02
TPSA197.00 Ų
H-Bond Donors3
H-Bond Acceptors23
Rotatable Bonds22
Heavy Atoms201
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002890.51
LogP ≤ 546.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze carbonyl difluoride;1-chloro-4-propan-2-ylbenzene;1,6-dimethyl-2,7-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;2,7-di(propan-2-yl)-3,4-dihydro-1H-isoquinolin-4-ol;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-ol;1,4-di(propan-2-yl)piperazine;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;6-methyl-2,7-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;6-methyl-2,7-di(propan-2-yl)-3,4-dihydro-1H-isoquinolin-4-ol;1-methyl-3-propan-2-ylpyrazole;5-methyl-2-propan-2-yl-1,3-thiazole;propane;3-propan-2-yl-1,3-benzoxazol-2-one;1-propan-2-yl-3-(2,2,2-trifluoroethyl)pyrazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene with MolForge

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Frequently Asked Questions

What is the IUPAC name of carbonyl difluoride;1-chloro-4-propan-2-ylbenzene;1,6-dimethyl-2,7-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;2,7-di(propan-2-yl)-3,4-dihydro-1H-isoquinolin-4-ol;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-ol;1,4-di(propan-2-yl)piperazine;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;6-methyl-2,7-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;6-methyl-2,7-di(propan-2-yl)-3,4-dihydro-1H-isoquinolin-4-ol;1-methyl-3-propan-2-ylpyrazole;5-methyl-2-propan-2-yl-1,3-thiazole;propane;3-propan-2-yl-1,3-benzoxazol-2-one;1-propan-2-yl-3-(2,2,2-trifluoroethyl)pyrazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene?
The IUPAC name of carbonyl difluoride;1-chloro-4-propan-2-ylbenzene;1,6-dimethyl-2,7-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;2,7-di(propan-2-yl)-3,4-dihydro-1H-isoquinolin-4-ol;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-ol;1,4-di(propan-2-yl)piperazine;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;6-methyl-2,7-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;6-methyl-2,7-di(propan-2-yl)-3,4-dihydro-1H-isoquinolin-4-ol;1-methyl-3-propan-2-ylpyrazole;5-methyl-2-propan-2-yl-1,3-thiazole;propane;3-propan-2-yl-1,3-benzoxazol-2-one;1-propan-2-yl-3-(2,2,2-trifluoroethyl)pyrazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene (CID 161457711) is carbonyl difluoride;1-chloro-4-propan-2-ylbenzene;1,6-dimethyl-2,7-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;2,7-di(propan-2-yl)-3,4-dihydro-1H-isoquinolin-4-ol;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-ol;1,4-di(propan-2-yl)piperazine;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;6-methyl-2,7-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;6-methyl-2,7-di(propan-2-yl)-3,4-dihydro-1H-isoquinolin-4-ol;1-methyl-3-propan-2-ylpyrazole;5-methyl-2-propan-2-yl-1,3-thiazole;propane;3-propan-2-yl-1,3-benzoxazol-2-one;1-propan-2-yl-3-(2,2,2-trifluoroethyl)pyrazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene.
What is the SMILES notation for carbonyl difluoride;1-chloro-4-propan-2-ylbenzene;1,6-dimethyl-2,7-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;2,7-di(propan-2-yl)-3,4-dihydro-1H-isoquinolin-4-ol;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-ol;1,4-di(propan-2-yl)piperazine;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;6-methyl-2,7-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;6-methyl-2,7-di(propan-2-yl)-3,4-dihydro-1H-isoquinolin-4-ol;1-methyl-3-propan-2-ylpyrazole;5-methyl-2-propan-2-yl-1,3-thiazole;propane;3-propan-2-yl-1,3-benzoxazol-2-one;1-propan-2-yl-3-(2,2,2-trifluoroethyl)pyrazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene?
The canonical SMILES for carbonyl difluoride;1-chloro-4-propan-2-ylbenzene;1,6-dimethyl-2,7-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;2,7-di(propan-2-yl)-3,4-dihydro-1H-isoquinolin-4-ol;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-ol;1,4-di(propan-2-yl)piperazine;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;6-methyl-2,7-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;6-methyl-2,7-di(propan-2-yl)-3,4-dihydro-1H-isoquinolin-4-ol;1-methyl-3-propan-2-ylpyrazole;5-methyl-2-propan-2-yl-1,3-thiazole;propane;3-propan-2-yl-1,3-benzoxazol-2-one;1-propan-2-yl-3-(2,2,2-trifluoroethyl)pyrazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene is CC(C)C1=CCN(C(C)C)CC1O.CC(C)N1CCN(C(C)C)CC1.CC(C)c1ccc(C(F)(F)F)s1.CC(C)c1ccc(Cl)cc1.CC(C)c1ccc(F)cc1.CC(C)c1ccc2c(c1)CN(C(C)C)CC2O.CC(C)c1ccn(C)n1.CC(C)c1cnc(C(F)(F)F)s1.CC(C)n1c(=O)oc2ccccc21.CC(C)n1ccc(CC(F)(F)F)n1.CCC.Cc1cc(C(C)C)ccc1F.Cc1cc2c(cc1C(C)C)C(C)N(C(C)C)CC2.Cc1cc2c(cc1C(C)C)CN(C(C)C)CC2.Cc1cc2c(cc1C(C)C)CN(C(C)C)CC2O.Cc1cnc(C(C)C)s1.O=C(F)F.
What is the InChIKey of carbonyl difluoride;1-chloro-4-propan-2-ylbenzene;1,6-dimethyl-2,7-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;2,7-di(propan-2-yl)-3,4-dihydro-1H-isoquinolin-4-ol;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-ol;1,4-di(propan-2-yl)piperazine;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;6-methyl-2,7-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;6-methyl-2,7-di(propan-2-yl)-3,4-dihydro-1H-isoquinolin-4-ol;1-methyl-3-propan-2-ylpyrazole;5-methyl-2-propan-2-yl-1,3-thiazole;propane;3-propan-2-yl-1,3-benzoxazol-2-one;1-propan-2-yl-3-(2,2,2-trifluoroethyl)pyrazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene?
The InChIKey is WBJLQHHNGFZUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N.C16H25NO.C16H25N.C15H23NO.C11H21NO.C10H13F.C10H22N2.C10H11NO2.C9H11Cl.C9H11F.C8H11F3N2.C8H9F3S.C7H8F3NS.C7H12N2.C7H11NS.C3H8.CF2O/c1-11(2)16-10-17-14(6)18(12(3)4)8-7-15(17)9-13(16)5;1-10(2)14-7-13-8-17(11(3)4)9-16(18)15(13)6-12(14)5;1-11(2)16-9-15-10-17(12(3)4)7-6-14(15)8-13(16)5;1-10(2)12-5-6-14-13(7-12)8-16(11(3)4)9-15(14)17;1-8(2)10-5-6-12(9(3)4)7-11(10)13;1-7(2)9-4-5-10(11)8(3)6-9;1-9(2)11-5-7-12(8-6-11)10(3)4;1-7(2)11-8-5-3-4-6-9(8)13-10(11)12;2*1-7(2)8-3-5-9(10)6-4-8;1-6(2)13-4-3-7(12-13)5-8(9,10)11;1-5(2)6-3-4-7(12-6)8(9,10)11;1-4(2)5-3-11-6(12-5)7(8,9)10;1-6(2)7-4-5-9(3)8-7;1-5(2)7-8-4-6(3)9-7;1-3-2;2-1(3)4/h9-12,14H,7-8H2,1-6H3;6-7,10-11,16,18H,8-9H2,1-5H3;8-9,11-12H,6-7,10H2,1-5H3;5-7,10-11,15,17H,8-9H2,1-4H3;5,8-9,11,13H,6-7H2,1-4H3;4-7H,1-3H3;9-10H,5-8H2,1-4H3;3-7H,1-2H3;2*3-7H,1-2H3;3-4,6H,5H2,1-2H3;3-5H,1-2H3;3-4H,1-2H3;4-6H,1-3H3;4-5H,1-3H3;3H2,1-2H3;.
What are the key properties of carbonyl difluoride;1-chloro-4-propan-2-ylbenzene;1,6-dimethyl-2,7-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;2,7-di(propan-2-yl)-3,4-dihydro-1H-isoquinolin-4-ol;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-ol;1,4-di(propan-2-yl)piperazine;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;6-methyl-2,7-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;6-methyl-2,7-di(propan-2-yl)-3,4-dihydro-1H-isoquinolin-4-ol;1-methyl-3-propan-2-ylpyrazole;5-methyl-2-propan-2-yl-1,3-thiazole;propane;3-propan-2-yl-1,3-benzoxazol-2-one;1-propan-2-yl-3-(2,2,2-trifluoroethyl)pyrazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene?
carbonyl difluoride;1-chloro-4-propan-2-ylbenzene;1,6-dimethyl-2,7-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;2,7-di(propan-2-yl)-3,4-dihydro-1H-isoquinolin-4-ol;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-ol;1,4-di(propan-2-yl)piperazine;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;6-methyl-2,7-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;6-methyl-2,7-di(propan-2-yl)-3,4-dihydro-1H-isoquinolin-4-ol;1-methyl-3-propan-2-ylpyrazole;5-methyl-2-propan-2-yl-1,3-thiazole;propane;3-propan-2-yl-1,3-benzoxazol-2-one;1-propan-2-yl-3-(2,2,2-trifluoroethyl)pyrazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene has a molecular weight of 2890.51 g/mol, XLogP of 46.02, 22 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for carbonyl difluoride;1-chloro-4-propan-2-ylbenzene;1,6-dimethyl-2,7-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;2,7-di(propan-2-yl)-3,4-dihydro-1H-isoquinolin-4-ol;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-ol;1,4-di(propan-2-yl)piperazine;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;6-methyl-2,7-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;6-methyl-2,7-di(propan-2-yl)-3,4-dihydro-1H-isoquinolin-4-ol;1-methyl-3-propan-2-ylpyrazole;5-methyl-2-propan-2-yl-1,3-thiazole;propane;3-propan-2-yl-1,3-benzoxazol-2-one;1-propan-2-yl-3-(2,2,2-trifluoroethyl)pyrazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene is sourced from PubChem (CID 161457711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).