2,2-difluoro-4,7-di(propan-2-yl)-1,3-benzodioxole;2,5-dimethylhex-3-ene;1,4-di(propan-2-yl)benzene;4,7-di(propan-2-yl)-1H-benzimidazole;4,7-di(propan-2-yl)-2H-benzimidazole;4,7-di(propan-2-yl)-1,3-benzodioxole;4,7-di(propan-2-yl)-2,1,3-benzothiadiazole;bis(4,7-di(propan-2-yl)-1,3-benzothiazole);4,7-di(propan-2-yl)-2,1,3-benzoxadiazole;bis(4,7-di(propan-2-yl)-1,3-benzoxazole);bis(4,7-di(propan-2-yl)-2,1-benzoxazole);4,7-di(propan-2-yl)-2,3-dihydro-1H-indene;1,4-di(propan-2-yl)naphthalene;bis(2,5-di(propan-2-yl)pyridine);bis(3,6-di(propan-2-yl)-1H-pyridin-2-one);methane

C250H352F2N18O11S3 — CID 162271253

IUPAC2,2-difluoro-4,7-di(propan-2-yl)-1,3-benzodioxole;2,5-dimethylhex-3-ene;1,4-di(propan-2-yl)benzene;4,7-di(propan-2-yl)-1H-benzimidazole;4,7-di(propan-2-yl)-2H-benzimidazole;4,7-di(propan-2-yl)-1,3-benzodioxole;4,7-di(propan-2-yl)-2,1,3-benzothiadiazole;bis(4,7-di(propan-2-yl)-1,3-benzothiazole);4,7-di(propan-2-yl)-2,1,3-benzoxadiazole;bis(4,7-di(propan-2-yl)-1,3-benzoxazole);bis(4,7-di(propan-2-yl)-2,1-benzoxazole);4,7-di(propan-2-yl)-2,3-dihydro-1H-indene;1,4-di(propan-2-yl)naphthalene;bis(2,5-di(propan-2-yl)pyridine);bis(3,6-di(propan-2-yl)-1H-pyridin-2-one);methane
SMILESC.CC(C)C=CC(C)C.CC(C)c1ccc(C(C)C)c(=O)[nH]1.CC(C)c1ccc(C(C)C)c(=O)[nH]1.CC(C)c1ccc(C(C)C)c2[nH]cnc12.CC(C)c1ccc(C(C)C)c2c1=NCN=2.CC(C)c1ccc(C(C)C)c2c1CCC2.CC(C)c1ccc(C(C)C)c2c1OC(F)(F)O2.CC(C)c1ccc(C(C)C)c2c1OCO2.CC(C)c1ccc(C(C)C)c2ccccc12.CC(C)c1ccc(C(C)C)c2nocc12.CC(C)c1ccc(C(C)C)c2nocc12.CC(C)c1ccc(C(C)C)c2nonc12.CC(C)c1ccc(C(C)C)c2nsnc12.CC(C)c1ccc(C(C)C)c2ocnc12.CC(C)c1ccc(C(C)C)c2ocnc12.CC(C)c1ccc(C(C)C)c2scnc12.CC(C)c1ccc(C(C)C)c2scnc12.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(C(C)C)nc1
InChIInChI=1S/C16H20.C15H22.C13H16F2O2.2C13H18N2.4C13H17NO.2C13H17NS.C13H18O2.C12H16N2O.C12H16N2S.C12H18.2C11H17NO.2C11H17N.C8H16.CH4/c1-11(2)13-9-10-14(12(3)4)16-8-6-5-7-15(13)16;1-10(2)12-8-9-13(11(3)4)15-7-5-6-14(12)15;1-7(2)9-5-6-10(8(3)4)12-11(9)16-13(14,15)17-12;4*1-8(2)10-5-6-11(9(3)4)13-12(10)14-7-15-13;2*1-8(2)10-5-6-11(9(3)4)13-12(10)7-15-14-13;3*1-8(2)10-5-6-11(9(3)4)13-12(10)14-7-15-13;2*1-7(2)9-5-6-10(8(3)4)12-11(9)13-15-14-12;1-9(2)11-5-7-12(8-6-11)10(3)4;2*1-7(2)9-5-6-10(8(3)4)12-11(9)13;2*1-8(2)10-5-6-11(9(3)4)12-7-10;1-7(2)5-6-8(3)4;/h5-12H,1-4H3;8-11H,5-7H2,1-4H3;5-8H,1-4H3;5-6,8-9H,7H2,1-4H3;5-9H,1-4H3,(H,14,15);6*5-9H,1-4H3;5-6,8-9H,7H2,1-4H3;2*5-8H,1-4H3;5-10H,1-4H3;2*5-8H,1-4H3,(H,12,13);2*5-9H,1-4H3;5-8H,1-4H3;1H4
InChIKeyIRRJCHXHGWMWNP-UHFFFAOYSA-N
MW3919.88 g/mol
LogP75.50
Rot. Bonds40

About 2,2-difluoro-4,7-di(propan-2-yl)-1,3-benzodioxole;2,5-dimethylhex-3-ene;1,4-di(propan-2-yl)benzene;4,7-di(propan-2-yl)-1H-benzimidazole;4,7-di(propan-2-yl)-2H-benzimidazole;4,7-di(propan-2-yl)-1,3-benzodioxole;4,7-di(propan-2-yl)-2,1,3-benzothiadiazole;bis(4,7-di(propan-2-yl)-1,3-benzothiazole);4,7-di(propan-2-yl)-2,1,3-benzoxadiazole;bis(4,7-di(propan-2-yl)-1,3-benzoxazole);bis(4,7-di(propan-2-yl)-2,1-benzoxazole);4,7-di(propan-2-yl)-2,3-dihydro-1H-indene;1,4-di(propan-2-yl)naphthalene;bis(2,5-di(propan-2-yl)pyridine);bis(3,6-di(propan-2-yl)-1H-pyridin-2-one);methane

2,2-difluoro-4,7-di(propan-2-yl)-1,3-benzodioxole;2,5-dimethylhex-3-ene;1,4-di(propan-2-yl)benzene;4,7-di(propan-2-yl)-1H-benzimidazole;4,7-di(propan-2-yl)-2H-benzimidazole;4,7-di(propan-2-yl)-1,3-benzodioxole;4,7-di(propan-2-yl)-2,1,3-benzothiadiazole;bis(4,7-di(propan-2-yl)-1,3-benzothiazole);4,7-di(propan-2-yl)-2,1,3-benzoxadiazole;bis(4,7-di(propan-2-yl)-1,3-benzoxazole);bis(4,7-di(propan-2-yl)-2,1-benzoxazole);4,7-di(propan-2-yl)-2,3-dihydro-1H-indene;1,4-di(propan-2-yl)naphthalene;bis(2,5-di(propan-2-yl)pyridine);bis(3,6-di(propan-2-yl)-1H-pyridin-2-one);methane (PubChem CID 162271253) has the molecular formula C250H352F2N18O11S3 and a molecular weight of 3919.88 g/mol. Its IUPAC name is 2,2-difluoro-4,7-di(propan-2-yl)-1,3-benzodioxole;2,5-dimethylhex-3-ene;1,4-di(propan-2-yl)benzene;4,7-di(propan-2-yl)-1H-benzimidazole;4,7-di(propan-2-yl)-2H-benzimidazole;4,7-di(propan-2-yl)-1,3-benzodioxole;4,7-di(propan-2-yl)-2,1,3-benzothiadiazole;bis(4,7-di(propan-2-yl)-1,3-benzothiazole);4,7-di(propan-2-yl)-2,1,3-benzoxadiazole;bis(4,7-di(propan-2-yl)-1,3-benzoxazole);bis(4,7-di(propan-2-yl)-2,1-benzoxazole);4,7-di(propan-2-yl)-2,3-dihydro-1H-indene;1,4-di(propan-2-yl)naphthalene;bis(2,5-di(propan-2-yl)pyridine);bis(3,6-di(propan-2-yl)-1H-pyridin-2-one);methane.

Molecular Properties

Compound Name2,2-difluoro-4,7-di(propan-2-yl)-1,3-benzodioxole;2,5-dimethylhex-3-ene;1,4-di(propan-2-yl)benzene;4,7-di(propan-2-yl)-1H-benzimidazole;4,7-di(propan-2-yl)-2H-benzimidazole;4,7-di(propan-2-yl)-1,3-benzodioxole;4,7-di(propan-2-yl)-2,1,3-benzothiadiazole;bis(4,7-di(propan-2-yl)-1,3-benzothiazole);4,7-di(propan-2-yl)-2,1,3-benzoxadiazole;bis(4,7-di(propan-2-yl)-1,3-benzoxazole);bis(4,7-di(propan-2-yl)-2,1-benzoxazole);4,7-di(propan-2-yl)-2,3-dihydro-1H-indene;1,4-di(propan-2-yl)naphthalene;bis(2,5-di(propan-2-yl)pyridine);bis(3,6-di(propan-2-yl)-1H-pyridin-2-one);methane
PubChem CID162271253
Molecular FormulaC250H352F2N18O11S3
Molecular Weight3919.88 g/mol
Exact Mass3916.67
IUPAC Name2,2-difluoro-4,7-di(propan-2-yl)-1,3-benzodioxole;2,5-dimethylhex-3-ene;1,4-di(propan-2-yl)benzene;4,7-di(propan-2-yl)-1H-benzimidazole;4,7-di(propan-2-yl)-2H-benzimidazole;4,7-di(propan-2-yl)-1,3-benzodioxole;4,7-di(propan-2-yl)-2,1,3-benzothiadiazole;bis(4,7-di(propan-2-yl)-1,3-benzothiazole);4,7-di(propan-2-yl)-2,1,3-benzoxadiazole;bis(4,7-di(propan-2-yl)-1,3-benzoxazole);bis(4,7-di(propan-2-yl)-2,1-benzoxazole);4,7-di(propan-2-yl)-2,3-dihydro-1H-indene;1,4-di(propan-2-yl)naphthalene;bis(2,5-di(propan-2-yl)pyridine);bis(3,6-di(propan-2-yl)-1H-pyridin-2-one);methane
SMILESC.CC(C)C=CC(C)C.CC(C)c1ccc(C(C)C)c(=O)[nH]1.CC(C)c1ccc(C(C)C)c(=O)[nH]1.CC(C)c1ccc(C(C)C)c2[nH]cnc12.CC(C)c1ccc(C(C)C)c2c1=NCN=2.CC(C)c1ccc(C(C)C)c2c1CCC2.CC(C)c1ccc(C(C)C)c2c1OC(F)(F)O2.CC(C)c1ccc(C(C)C)c2c1OCO2.CC(C)c1ccc(C(C)C)c2ccccc12.CC(C)c1ccc(C(C)C)c2nocc12.CC(C)c1ccc(C(C)C)c2nocc12.CC(C)c1ccc(C(C)C)c2nonc12.CC(C)c1ccc(C(C)C)c2nsnc12.CC(C)c1ccc(C(C)C)c2ocnc12.CC(C)c1ccc(C(C)C)c2ocnc12.CC(C)c1ccc(C(C)C)c2scnc12.CC(C)c1ccc(C(C)C)c2scnc12.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(C(C)C)nc1
InChIInChI=1S/C16H20.C15H22.C13H16F2O2.2C13H18N2.4C13H17NO.2C13H17NS.C13H18O2.C12H16N2O.C12H16N2S.C12H18.2C11H17NO.2C11H17N.C8H16.CH4/c1-11(2)13-9-10-14(12(3)4)16-8-6-5-7-15(13)16;1-10(2)12-8-9-13(11(3)4)15-7-5-6-14(12)15;1-7(2)9-5-6-10(8(3)4)12-11(9)16-13(14,15)17-12;4*1-8(2)10-5-6-11(9(3)4)13-12(10)14-7-15-13;2*1-8(2)10-5-6-11(9(3)4)13-12(10)7-15-14-13;3*1-8(2)10-5-6-11(9(3)4)13-12(10)14-7-15-13;2*1-7(2)9-5-6-10(8(3)4)12-11(9)13-15-14-12;1-9(2)11-5-7-12(8-6-11)10(3)4;2*1-7(2)9-5-6-10(8(3)4)12-11(9)13;2*1-8(2)10-5-6-11(9(3)4)12-7-10;1-7(2)5-6-8(3)4;/h5-12H,1-4H3;8-11H,5-7H2,1-4H3;5-8H,1-4H3;5-6,8-9H,7H2,1-4H3;5-9H,1-4H3,(H,14,15);6*5-9H,1-4H3;5-6,8-9H,7H2,1-4H3;2*5-8H,1-4H3;5-10H,1-4H3;2*5-8H,1-4H3,(H,12,13);2*5-9H,1-4H3;5-8H,1-4H3;1H4
InChIKeyIRRJCHXHGWMWNP-UHFFFAOYSA-N
XLogP75.50
TPSA376.42 Ų
H-Bond Donors3
H-Bond Acceptors29
Rotatable Bonds40
Heavy Atoms284
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003919.88
LogP ≤ 575.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1029

Analyze 2,2-difluoro-4,7-di(propan-2-yl)-1,3-benzodioxole;2,5-dimethylhex-3-ene;1,4-di(propan-2-yl)benzene;4,7-di(propan-2-yl)-1H-benzimidazole;4,7-di(propan-2-yl)-2H-benzimidazole;4,7-di(propan-2-yl)-1,3-benzodioxole;4,7-di(propan-2-yl)-2,1,3-benzothiadiazole;bis(4,7-di(propan-2-yl)-1,3-benzothiazole);4,7-di(propan-2-yl)-2,1,3-benzoxadiazole;bis(4,7-di(propan-2-yl)-1,3-benzoxazole);bis(4,7-di(propan-2-yl)-2,1-benzoxazole);4,7-di(propan-2-yl)-2,3-dihydro-1H-indene;1,4-di(propan-2-yl)naphthalene;bis(2,5-di(propan-2-yl)pyridine);bis(3,6-di(propan-2-yl)-1H-pyridin-2-one);methane with MolForge

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Related Compounds

CID 157248329
CID 157248329
1-methoxy-3-propan-2-ylbenzene;6-propan-2-yl-1H-benzimidazol-2-amine;6-propan-2-yl-1,3-benzothiazol-2-amine;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-2H-benzotriazole;6-propan-2-yl-1,2-benzoxazol-3-amine;6-propan-2-yl-1,3-benzoxazol-2-amine;6-propan-2-yl-1,3-benzoxazole;3-propan-2-yl-8-(trifluoromethyl)quinoline
CID 157276904
CID 157314498
CID 157314498
2,2-difluoro-5-methyl-1,3-benzodioxole;2,6-dimethyl-1H-benzimidazole;2,6-dimethyl-1-benzofuran;2,5-dimethyl-1H-indole;2,6-dimethyl-1H-indole;2-ethyl-6-methyl-1-benzofuran;methane;6-methyl-1H-benzimidazol-2-amine;6-methyl-1H-benzimidazole;6-methyl-1,3-benzothiazol-2-amine;5-methyl-1,3-benzothiazole;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;5-methyl-2,3-dihydro-1H-isoindole;6-methylimidazo[1,2-a]pyridin-2-amine;5-methyl-1H-indole;7-methyl-1H-indole;6-methyl-2-pyridin-2-yl-1H-benzimidazole;1,2,5-trimethylindole
CID 157425506
2,2-difluoro-4,7-di(propan-2-yl)-1,3-benzodioxole;3,3-difluoro-4,7-di(propan-2-yl)-2H-1-benzofuran;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydro-1H-indene;1,1-dimethyl-4,7-di(propan-2-yl)-2,3-dihydro-1-benzosilole;4,7-di(propan-2-yl)-1,2-benzothiazole;4,7-di(propan-2-yl)-1,3-benzothiazole;4,7-di(propan-2-yl)-1,2-benzoxazole;4,7-di(propan-2-yl)-1,3-benzoxazole;2,5-di(propan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene;4,7-di(propan-2-yl)-2,3-dihydro-1-benzofuran;2,5-di(propan-2-yl)pyrazine;bis(2,5-di(propan-2-yl)pyridine);3-methoxy-2,5-di(propan-2-yl)pyrazine;1-methyl-4,7-di(propan-2-yl)benzimidazole;1-methyl-4,7-di(propan-2-yl)benzotriazole;undecakis(2-methylpropane);2-propan-2-yl-3,4-dihydro-1H-isoquinoline;6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;1-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridine;1,2,3,4-tetrahydronaphthalene;5,6,7,8-tetrahydroquinoline
CID 157452497
2,2-difluoro-5-(2-methylpropyl)-1,3-benzodioxole;2-methyl-5-(2-methylpropyl)-1,3-benzothiazole;2-methyl-5-(2-methylpropyl)-1,3-benzoxazole;2-methyl-6-(2-methylpropyl)-1,3-benzoxazole;3-methyl-5-(2-methylpropyl)-1,2-benzoxazole;3-methyl-6-(2-methylpropyl)-1,2-benzoxazole;3-methyl-5-(2-methylpropyl)-1,3-benzoxazol-2-one;N-methyl-7-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide;5-(2-methylpropyl)-2,1,3-benzothiadiazole;5-(2-methylpropyl)-2,1,3-benzoxadiazole;5-(2-methylpropyl)-1,3-benzoxazole;6-(2-methylpropyl)-1,3-benzoxazole;5-(2-methylpropyl)-2,3-dihydro-1H-indene;7-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide;1-[7-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
CID 157492715
2,2-difluoro-4,7-di(propan-2-yl)-1,3-benzodioxole;3,3-difluoro-4,7-di(propan-2-yl)-2H-1-benzofuran;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydro-1H-indene;1,1-dimethyl-4,7-di(propan-2-yl)-2,3-dihydro-1-benzosilole;4,7-di(propan-2-yl)-1,2-benzothiazole;4,7-di(propan-2-yl)-1,3-benzothiazole;4,7-di(propan-2-yl)-1,2-benzoxazole;4,7-di(propan-2-yl)-1,3-benzoxazole;2,5-di(propan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene;4,7-di(propan-2-yl)-2,3-dihydro-1-benzofuran;2,5-di(propan-2-yl)pyrazine;2,5-di(propan-2-yl)pyridine;methane;1-methyl-4,7-di(propan-2-yl)benzimidazole;1-methyl-4,7-di(propan-2-yl)benzotriazole;undecakis(2-methylpropane);2-propan-2-yl-3,4-dihydro-1H-isoquinoline;6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;1-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridine;1,2,3,4-tetrahydronaphthalene;5,6,7,8-tetrahydroquinoline
CID 157751482
bicyclo[4.2.0]octa-1,3,5-triene;2,2-difluoro-4,7-di(propan-2-yl)-1,3-benzodioxole;3,3-difluoro-4,7-di(propan-2-yl)-2H-1-benzofuran;2,3-dihydro-1H-indene;1,1-dimethyl-4,7-di(propan-2-yl)-2,3-dihydro-1-benzosilole;4,7-di(propan-2-yl)-1,2-benzothiazole;4,7-di(propan-2-yl)-1,3-benzothiazole;4,7-di(propan-2-yl)-1,2-benzoxazole;4,7-di(propan-2-yl)-1,3-benzoxazole;2,5-di(propan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene;4,7-di(propan-2-yl)-2,3-dihydro-1-benzofuran;1-methyl-4,7-di(propan-2-yl)benzimidazole;1-methyl-4,7-di(propan-2-yl)benzotriazole;hexakis(2-methylpropane);1,2,3,4-tetrahydronaphthalene
CID 157942126
2,2-difluoro-4,7-di(propan-2-yl)-1,3-benzodioxole;3,3-difluoro-4,7-di(propan-2-yl)-2H-1-benzofuran;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydro-1H-indene;1,1-dimethyl-4,7-di(propan-2-yl)-2,3-dihydro-1-benzosilole;4,7-di(propan-2-yl)-1,2-benzothiazole;4,7-di(propan-2-yl)-1,3-benzothiazole;4,7-di(propan-2-yl)-1,2-benzoxazole;4,7-di(propan-2-yl)-1,3-benzoxazole;2,5-di(propan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene;4,7-di(propan-2-yl)-2,3-dihydro-1-benzofuran;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;1-methyl-4,7-di(propan-2-yl)benzimidazole;1-methyl-4,7-di(propan-2-yl)benzotriazole;undecakis(2-methylpropane);2-propan-2-yl-3,4-dihydro-1H-isoquinoline;6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;1-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridine;1,2,3,4-tetrahydronaphthalene;5,6,7,8-tetrahydroquinoline
CID 157977904
2,2-difluoro-4,7-di(propan-2-yl)-1,3-benzodioxole;3,3-difluoro-4,7-di(propan-2-yl)-2H-1-benzofuran;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydro-1H-indene;1,1-dimethyl-4,7-di(propan-2-yl)-2,3-dihydro-1-benzosilole;4,7-di(propan-2-yl)-1,2-benzothiazole;4,7-di(propan-2-yl)-1,3-benzothiazole;4,7-di(propan-2-yl)-1,2-benzoxazole;4,7-di(propan-2-yl)-1,3-benzoxazole;2,5-di(propan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene;4,7-di(propan-2-yl)-2,3-dihydro-1-benzofuran;2,5-di(propan-2-yl)pyrazine;bis(2,5-di(propan-2-yl)pyridine);methane;3-methoxy-2,5-di(propan-2-yl)pyrazine;1-methyl-4,7-di(propan-2-yl)benzimidazole;1-methyl-4,7-di(propan-2-yl)benzotriazole;undecakis(2-methylpropane);2-propan-2-yl-3,4-dihydro-1H-isoquinoline;6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;1-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridine;1,2,3,4-tetrahydronaphthalene;5,6,7,8-tetrahydroquinoline
CID 157978998
CID 158395365
CID 158395365
CID 159492728
CID 159492728

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-4,7-di(propan-2-yl)-1,3-benzodioxole;2,5-dimethylhex-3-ene;1,4-di(propan-2-yl)benzene;4,7-di(propan-2-yl)-1H-benzimidazole;4,7-di(propan-2-yl)-2H-benzimidazole;4,7-di(propan-2-yl)-1,3-benzodioxole;4,7-di(propan-2-yl)-2,1,3-benzothiadiazole;bis(4,7-di(propan-2-yl)-1,3-benzothiazole);4,7-di(propan-2-yl)-2,1,3-benzoxadiazole;bis(4,7-di(propan-2-yl)-1,3-benzoxazole);bis(4,7-di(propan-2-yl)-2,1-benzoxazole);4,7-di(propan-2-yl)-2,3-dihydro-1H-indene;1,4-di(propan-2-yl)naphthalene;bis(2,5-di(propan-2-yl)pyridine);bis(3,6-di(propan-2-yl)-1H-pyridin-2-one);methane?
The IUPAC name of 2,2-difluoro-4,7-di(propan-2-yl)-1,3-benzodioxole;2,5-dimethylhex-3-ene;1,4-di(propan-2-yl)benzene;4,7-di(propan-2-yl)-1H-benzimidazole;4,7-di(propan-2-yl)-2H-benzimidazole;4,7-di(propan-2-yl)-1,3-benzodioxole;4,7-di(propan-2-yl)-2,1,3-benzothiadiazole;bis(4,7-di(propan-2-yl)-1,3-benzothiazole);4,7-di(propan-2-yl)-2,1,3-benzoxadiazole;bis(4,7-di(propan-2-yl)-1,3-benzoxazole);bis(4,7-di(propan-2-yl)-2,1-benzoxazole);4,7-di(propan-2-yl)-2,3-dihydro-1H-indene;1,4-di(propan-2-yl)naphthalene;bis(2,5-di(propan-2-yl)pyridine);bis(3,6-di(propan-2-yl)-1H-pyridin-2-one);methane (CID 162271253) is 2,2-difluoro-4,7-di(propan-2-yl)-1,3-benzodioxole;2,5-dimethylhex-3-ene;1,4-di(propan-2-yl)benzene;4,7-di(propan-2-yl)-1H-benzimidazole;4,7-di(propan-2-yl)-2H-benzimidazole;4,7-di(propan-2-yl)-1,3-benzodioxole;4,7-di(propan-2-yl)-2,1,3-benzothiadiazole;bis(4,7-di(propan-2-yl)-1,3-benzothiazole);4,7-di(propan-2-yl)-2,1,3-benzoxadiazole;bis(4,7-di(propan-2-yl)-1,3-benzoxazole);bis(4,7-di(propan-2-yl)-2,1-benzoxazole);4,7-di(propan-2-yl)-2,3-dihydro-1H-indene;1,4-di(propan-2-yl)naphthalene;bis(2,5-di(propan-2-yl)pyridine);bis(3,6-di(propan-2-yl)-1H-pyridin-2-one);methane.
What is the SMILES notation for 2,2-difluoro-4,7-di(propan-2-yl)-1,3-benzodioxole;2,5-dimethylhex-3-ene;1,4-di(propan-2-yl)benzene;4,7-di(propan-2-yl)-1H-benzimidazole;4,7-di(propan-2-yl)-2H-benzimidazole;4,7-di(propan-2-yl)-1,3-benzodioxole;4,7-di(propan-2-yl)-2,1,3-benzothiadiazole;bis(4,7-di(propan-2-yl)-1,3-benzothiazole);4,7-di(propan-2-yl)-2,1,3-benzoxadiazole;bis(4,7-di(propan-2-yl)-1,3-benzoxazole);bis(4,7-di(propan-2-yl)-2,1-benzoxazole);4,7-di(propan-2-yl)-2,3-dihydro-1H-indene;1,4-di(propan-2-yl)naphthalene;bis(2,5-di(propan-2-yl)pyridine);bis(3,6-di(propan-2-yl)-1H-pyridin-2-one);methane?
The canonical SMILES for 2,2-difluoro-4,7-di(propan-2-yl)-1,3-benzodioxole;2,5-dimethylhex-3-ene;1,4-di(propan-2-yl)benzene;4,7-di(propan-2-yl)-1H-benzimidazole;4,7-di(propan-2-yl)-2H-benzimidazole;4,7-di(propan-2-yl)-1,3-benzodioxole;4,7-di(propan-2-yl)-2,1,3-benzothiadiazole;bis(4,7-di(propan-2-yl)-1,3-benzothiazole);4,7-di(propan-2-yl)-2,1,3-benzoxadiazole;bis(4,7-di(propan-2-yl)-1,3-benzoxazole);bis(4,7-di(propan-2-yl)-2,1-benzoxazole);4,7-di(propan-2-yl)-2,3-dihydro-1H-indene;1,4-di(propan-2-yl)naphthalene;bis(2,5-di(propan-2-yl)pyridine);bis(3,6-di(propan-2-yl)-1H-pyridin-2-one);methane is C.CC(C)C=CC(C)C.CC(C)c1ccc(C(C)C)c(=O)[nH]1.CC(C)c1ccc(C(C)C)c(=O)[nH]1.CC(C)c1ccc(C(C)C)c2[nH]cnc12.CC(C)c1ccc(C(C)C)c2c1=NCN=2.CC(C)c1ccc(C(C)C)c2c1CCC2.CC(C)c1ccc(C(C)C)c2c1OC(F)(F)O2.CC(C)c1ccc(C(C)C)c2c1OCO2.CC(C)c1ccc(C(C)C)c2ccccc12.CC(C)c1ccc(C(C)C)c2nocc12.CC(C)c1ccc(C(C)C)c2nocc12.CC(C)c1ccc(C(C)C)c2nonc12.CC(C)c1ccc(C(C)C)c2nsnc12.CC(C)c1ccc(C(C)C)c2ocnc12.CC(C)c1ccc(C(C)C)c2ocnc12.CC(C)c1ccc(C(C)C)c2scnc12.CC(C)c1ccc(C(C)C)c2scnc12.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(C(C)C)nc1.
What is the InChIKey of 2,2-difluoro-4,7-di(propan-2-yl)-1,3-benzodioxole;2,5-dimethylhex-3-ene;1,4-di(propan-2-yl)benzene;4,7-di(propan-2-yl)-1H-benzimidazole;4,7-di(propan-2-yl)-2H-benzimidazole;4,7-di(propan-2-yl)-1,3-benzodioxole;4,7-di(propan-2-yl)-2,1,3-benzothiadiazole;bis(4,7-di(propan-2-yl)-1,3-benzothiazole);4,7-di(propan-2-yl)-2,1,3-benzoxadiazole;bis(4,7-di(propan-2-yl)-1,3-benzoxazole);bis(4,7-di(propan-2-yl)-2,1-benzoxazole);4,7-di(propan-2-yl)-2,3-dihydro-1H-indene;1,4-di(propan-2-yl)naphthalene;bis(2,5-di(propan-2-yl)pyridine);bis(3,6-di(propan-2-yl)-1H-pyridin-2-one);methane?
The InChIKey is IRRJCHXHGWMWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20.C15H22.C13H16F2O2.2C13H18N2.4C13H17NO.2C13H17NS.C13H18O2.C12H16N2O.C12H16N2S.C12H18.2C11H17NO.2C11H17N.C8H16.CH4/c1-11(2)13-9-10-14(12(3)4)16-8-6-5-7-15(13)16;1-10(2)12-8-9-13(11(3)4)15-7-5-6-14(12)15;1-7(2)9-5-6-10(8(3)4)12-11(9)16-13(14,15)17-12;4*1-8(2)10-5-6-11(9(3)4)13-12(10)14-7-15-13;2*1-8(2)10-5-6-11(9(3)4)13-12(10)7-15-14-13;3*1-8(2)10-5-6-11(9(3)4)13-12(10)14-7-15-13;2*1-7(2)9-5-6-10(8(3)4)12-11(9)13-15-14-12;1-9(2)11-5-7-12(8-6-11)10(3)4;2*1-7(2)9-5-6-10(8(3)4)12-11(9)13;2*1-8(2)10-5-6-11(9(3)4)12-7-10;1-7(2)5-6-8(3)4;/h5-12H,1-4H3;8-11H,5-7H2,1-4H3;5-8H,1-4H3;5-6,8-9H,7H2,1-4H3;5-9H,1-4H3,(H,14,15);6*5-9H,1-4H3;5-6,8-9H,7H2,1-4H3;2*5-8H,1-4H3;5-10H,1-4H3;2*5-8H,1-4H3,(H,12,13);2*5-9H,1-4H3;5-8H,1-4H3;1H4.
What are the key properties of 2,2-difluoro-4,7-di(propan-2-yl)-1,3-benzodioxole;2,5-dimethylhex-3-ene;1,4-di(propan-2-yl)benzene;4,7-di(propan-2-yl)-1H-benzimidazole;4,7-di(propan-2-yl)-2H-benzimidazole;4,7-di(propan-2-yl)-1,3-benzodioxole;4,7-di(propan-2-yl)-2,1,3-benzothiadiazole;bis(4,7-di(propan-2-yl)-1,3-benzothiazole);4,7-di(propan-2-yl)-2,1,3-benzoxadiazole;bis(4,7-di(propan-2-yl)-1,3-benzoxazole);bis(4,7-di(propan-2-yl)-2,1-benzoxazole);4,7-di(propan-2-yl)-2,3-dihydro-1H-indene;1,4-di(propan-2-yl)naphthalene;bis(2,5-di(propan-2-yl)pyridine);bis(3,6-di(propan-2-yl)-1H-pyridin-2-one);methane?
2,2-difluoro-4,7-di(propan-2-yl)-1,3-benzodioxole;2,5-dimethylhex-3-ene;1,4-di(propan-2-yl)benzene;4,7-di(propan-2-yl)-1H-benzimidazole;4,7-di(propan-2-yl)-2H-benzimidazole;4,7-di(propan-2-yl)-1,3-benzodioxole;4,7-di(propan-2-yl)-2,1,3-benzothiadiazole;bis(4,7-di(propan-2-yl)-1,3-benzothiazole);4,7-di(propan-2-yl)-2,1,3-benzoxadiazole;bis(4,7-di(propan-2-yl)-1,3-benzoxazole);bis(4,7-di(propan-2-yl)-2,1-benzoxazole);4,7-di(propan-2-yl)-2,3-dihydro-1H-indene;1,4-di(propan-2-yl)naphthalene;bis(2,5-di(propan-2-yl)pyridine);bis(3,6-di(propan-2-yl)-1H-pyridin-2-one);methane has a molecular weight of 3919.88 g/mol, XLogP of 75.50, 40 rotatable bonds, 3 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-4,7-di(propan-2-yl)-1,3-benzodioxole;2,5-dimethylhex-3-ene;1,4-di(propan-2-yl)benzene;4,7-di(propan-2-yl)-1H-benzimidazole;4,7-di(propan-2-yl)-2H-benzimidazole;4,7-di(propan-2-yl)-1,3-benzodioxole;4,7-di(propan-2-yl)-2,1,3-benzothiadiazole;bis(4,7-di(propan-2-yl)-1,3-benzothiazole);4,7-di(propan-2-yl)-2,1,3-benzoxadiazole;bis(4,7-di(propan-2-yl)-1,3-benzoxazole);bis(4,7-di(propan-2-yl)-2,1-benzoxazole);4,7-di(propan-2-yl)-2,3-dihydro-1H-indene;1,4-di(propan-2-yl)naphthalene;bis(2,5-di(propan-2-yl)pyridine);bis(3,6-di(propan-2-yl)-1H-pyridin-2-one);methane is sourced from PubChem (CID 162271253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).