2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;methane;1-methoxy-4-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);N-methyl-1-(4-propan-2-ylphenyl)methanimine;5-methyl-2-propan-2-ylpyridine;5-propan-2-yl-1-benzofuran;tris(6-propan-2-yl-1-benzofuran);6-propan-2-yl-2H-1,3-benzothiazol-2-ide;6-propan-2-yl-1-benzothiophene;6-propan-2-yl-2,3-dihydro-1-benzofuran;5-propan-2-yl-2,3-dihydro-1H-indene;N-(4-propan-2-ylphenyl)acetamide;(4-propan-2-ylphenyl)methanol;1,2,4-trifluoro-5-propan-2-ylbenzene;tungsten

C213H284F5N4O8S2W- — CID 159807560

IUPAC2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;methane;1-methoxy-4-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);N-methyl-1-(4-propan-2-ylphenyl)methanimine;5-methyl-2-propan-2-ylpyridine;5-propan-2-yl-1-benzofuran;tris(6-propan-2-yl-1-benzofuran);6-propan-2-yl-2H-1,3-benzothiazol-2-ide;6-propan-2-yl-1-benzothiophene;6-propan-2-yl-2,3-dihydro-1-benzofuran;5-propan-2-yl-2,3-dihydro-1H-indene;N-(4-propan-2-ylphenyl)acetamide;(4-propan-2-ylphenyl)methanol;1,2,4-trifluoro-5-propan-2-ylbenzene;tungsten
SMILESC.C.C.C.C.C.C/N=C/c1ccc(C(C)C)cc1.CC(=O)Nc1ccc(C(C)C)cc1.CC(C)c1cc(F)c(F)cc1F.CC(C)c1ccc(CO)cc1.CC(C)c1ccc(F)cc1.CC(C)c1ccc2c(c1)CCC2.CC(C)c1ccc2c(c1)OCC2.CC(C)c1ccc2ccoc2c1.CC(C)c1ccc2ccoc2c1.CC(C)c1ccc2ccoc2c1.CC(C)c1ccc2ccsc2c1.CC(C)c1ccc2n[c-]sc2c1.CC(C)c1ccc2occc2c1.COc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1F.Cc1ccc(C(C)C)nc1.Cc1cccc(C(C)C)c1.[W]
InChIInChI=1S/C12H16.C11H15NO.C11H15N.C11H12O.C11H14O.3C11H12O.C11H12S.C10H13F.C10H10NS.2C10H14O.4C10H14.C9H9F3.C9H11F.C9H13N.6CH4.W/c1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-8(2)10-4-6-11(7-5-10)12-9(3)13;1-9(2)11-6-4-10(5-7-11)8-12-3;1-8(2)9-3-4-11-10(7-9)5-6-12-11;5*1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-7(2)9-5-4-8(3)10(11)6-9;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-8(2)9-4-6-10(11-3)7-5-9;1-8(2)10-5-3-9(7-11)4-6-10;3*1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-6-4-5-9(3)7-10;1-5(2)6-3-8(11)9(12)4-7(6)10;1-7(2)8-3-5-9(10)6-4-8;1-7(2)9-5-4-8(3)6-10-9;;;;;;;/h6-9H,3-5H2,1-2H3;4-8H,1-3H3,(H,12,13);4-9H,1-3H3;3-8H,1-2H3;3-4,7-8H,5-6H2,1-2H3;4*3-8H,1-2H3;4-7H,1-3H3;3-5,7H,1-2H3;4-8H,1-3H3;3-6,8,11H,7H2,1-2H3;4*4-8H,1-3H3;3-5H,1-2H3;3-7H,1-2H3;4-7H,1-3H3;6*1H4;/q;;;;;;;;;;-1;;;;;;;;;;;;;;;;/b;;12-8+;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyNITDVTDYMUDVDX-LOHPMJOUSA-N
MW3371.60 g/mol
LogP66.50
Rot. Bonds24

About 2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;methane;1-methoxy-4-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);N-methyl-1-(4-propan-2-ylphenyl)methanimine;5-methyl-2-propan-2-ylpyridine;5-propan-2-yl-1-benzofuran;tris(6-propan-2-yl-1-benzofuran);6-propan-2-yl-2H-1,3-benzothiazol-2-ide;6-propan-2-yl-1-benzothiophene;6-propan-2-yl-2,3-dihydro-1-benzofuran;5-propan-2-yl-2,3-dihydro-1H-indene;N-(4-propan-2-ylphenyl)acetamide;(4-propan-2-ylphenyl)methanol;1,2,4-trifluoro-5-propan-2-ylbenzene;tungsten

2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;methane;1-methoxy-4-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);N-methyl-1-(4-propan-2-ylphenyl)methanimine;5-methyl-2-propan-2-ylpyridine;5-propan-2-yl-1-benzofuran;tris(6-propan-2-yl-1-benzofuran);6-propan-2-yl-2H-1,3-benzothiazol-2-ide;6-propan-2-yl-1-benzothiophene;6-propan-2-yl-2,3-dihydro-1-benzofuran;5-propan-2-yl-2,3-dihydro-1H-indene;N-(4-propan-2-ylphenyl)acetamide;(4-propan-2-ylphenyl)methanol;1,2,4-trifluoro-5-propan-2-ylbenzene;tungsten (PubChem CID 159807560) has the molecular formula C213H284F5N4O8S2W- and a molecular weight of 3371.60 g/mol. Its IUPAC name is 2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;methane;1-methoxy-4-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);N-methyl-1-(4-propan-2-ylphenyl)methanimine;5-methyl-2-propan-2-ylpyridine;5-propan-2-yl-1-benzofuran;tris(6-propan-2-yl-1-benzofuran);6-propan-2-yl-2H-1,3-benzothiazol-2-ide;6-propan-2-yl-1-benzothiophene;6-propan-2-yl-2,3-dihydro-1-benzofuran;5-propan-2-yl-2,3-dihydro-1H-indene;N-(4-propan-2-ylphenyl)acetamide;(4-propan-2-ylphenyl)methanol;1,2,4-trifluoro-5-propan-2-ylbenzene;tungsten.

Molecular Properties

Compound Name2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;methane;1-methoxy-4-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);N-methyl-1-(4-propan-2-ylphenyl)methanimine;5-methyl-2-propan-2-ylpyridine;5-propan-2-yl-1-benzofuran;tris(6-propan-2-yl-1-benzofuran);6-propan-2-yl-2H-1,3-benzothiazol-2-ide;6-propan-2-yl-1-benzothiophene;6-propan-2-yl-2,3-dihydro-1-benzofuran;5-propan-2-yl-2,3-dihydro-1H-indene;N-(4-propan-2-ylphenyl)acetamide;(4-propan-2-ylphenyl)methanol;1,2,4-trifluoro-5-propan-2-ylbenzene;tungsten
PubChem CID159807560
Molecular FormulaC213H284F5N4O8S2W-
Molecular Weight3371.60 g/mol
Exact Mass3369.08
IUPAC Name2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;methane;1-methoxy-4-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);N-methyl-1-(4-propan-2-ylphenyl)methanimine;5-methyl-2-propan-2-ylpyridine;5-propan-2-yl-1-benzofuran;tris(6-propan-2-yl-1-benzofuran);6-propan-2-yl-2H-1,3-benzothiazol-2-ide;6-propan-2-yl-1-benzothiophene;6-propan-2-yl-2,3-dihydro-1-benzofuran;5-propan-2-yl-2,3-dihydro-1H-indene;N-(4-propan-2-ylphenyl)acetamide;(4-propan-2-ylphenyl)methanol;1,2,4-trifluoro-5-propan-2-ylbenzene;tungsten
SMILESC.C.C.C.C.C.C/N=C/c1ccc(C(C)C)cc1.CC(=O)Nc1ccc(C(C)C)cc1.CC(C)c1cc(F)c(F)cc1F.CC(C)c1ccc(CO)cc1.CC(C)c1ccc(F)cc1.CC(C)c1ccc2c(c1)CCC2.CC(C)c1ccc2c(c1)OCC2.CC(C)c1ccc2ccoc2c1.CC(C)c1ccc2ccoc2c1.CC(C)c1ccc2ccoc2c1.CC(C)c1ccc2ccsc2c1.CC(C)c1ccc2n[c-]sc2c1.CC(C)c1ccc2occc2c1.COc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1F.Cc1ccc(C(C)C)nc1.Cc1cccc(C(C)C)c1.[W]
InChIInChI=1S/C12H16.C11H15NO.C11H15N.C11H12O.C11H14O.3C11H12O.C11H12S.C10H13F.C10H10NS.2C10H14O.4C10H14.C9H9F3.C9H11F.C9H13N.6CH4.W/c1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-8(2)10-4-6-11(7-5-10)12-9(3)13;1-9(2)11-6-4-10(5-7-11)8-12-3;1-8(2)9-3-4-11-10(7-9)5-6-12-11;5*1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-7(2)9-5-4-8(3)10(11)6-9;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-8(2)9-4-6-10(11-3)7-5-9;1-8(2)10-5-3-9(7-11)4-6-10;3*1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-6-4-5-9(3)7-10;1-5(2)6-3-8(11)9(12)4-7(6)10;1-7(2)8-3-5-9(10)6-4-8;1-7(2)9-5-4-8(3)6-10-9;;;;;;;/h6-9H,3-5H2,1-2H3;4-8H,1-3H3,(H,12,13);4-9H,1-3H3;3-8H,1-2H3;3-4,7-8H,5-6H2,1-2H3;4*3-8H,1-2H3;4-7H,1-3H3;3-5,7H,1-2H3;4-8H,1-3H3;3-6,8,11H,7H2,1-2H3;4*4-8H,1-3H3;3-5H,1-2H3;3-7H,1-2H3;4-7H,1-3H3;6*1H4;/q;;;;;;;;;;-1;;;;;;;;;;;;;;;;/b;;12-8+;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyNITDVTDYMUDVDX-LOHPMJOUSA-N
XLogP66.50
TPSA158.49 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds24
Heavy Atoms233
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003371.60
LogP ≤ 566.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;methane;1-methoxy-4-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);N-methyl-1-(4-propan-2-ylphenyl)methanimine;5-methyl-2-propan-2-ylpyridine;5-propan-2-yl-1-benzofuran;tris(6-propan-2-yl-1-benzofuran);6-propan-2-yl-2H-1,3-benzothiazol-2-ide;6-propan-2-yl-1-benzothiophene;6-propan-2-yl-2,3-dihydro-1-benzofuran;5-propan-2-yl-2,3-dihydro-1H-indene;N-(4-propan-2-ylphenyl)acetamide;(4-propan-2-ylphenyl)methanol;1,2,4-trifluoro-5-propan-2-ylbenzene;tungsten with MolForge

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Related Compounds

cumene;5-fluoro-3-methyl-2-propan-2-yl-1H-indole;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-3-propan-2-ylbenzene;5-fluoro-2-propan-2-yl-1H-indole;3-methyl-2-propan-2-yl-1-benzofuran;3-methyl-2-propan-2-yl-1-benzothiophene;3-methyl-2-propan-2-ylfuran;3-methyl-2-propan-2-yl-1H-indole;3-methyl-2-propan-2-ylthiophene;3-methyl-2-propan-2-yl-5-(trifluoromethyl)-1H-indole;2-methylpropylbenzene;3-(2-methylpropyl)phenol;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;2-propan-2-ylfuran;2-propan-2-yl-1H-indole;3-propan-2-ylphenol;2-propan-2-yl-3-(2-pyridin-4-ylethyl)-1H-indole;2-propan-2-ylthiophene;1-propan-2-yl-3-(trifluoromethyl)benzene
CID 158835435
benzo[e][1]benzofuran;benzo[e][1]benzothiole;3H-benzo[e]indole;3H-cyclopenta[a]naphthalene;1,2-dihydrobenzo[e][1]benzofuran;1,2-dihydrobenzo[e][1]benzothiole;2,3-dihydro-1H-benzo[e]indole;2,3-dihydro-1H-cyclopenta[a]naphthalene;2H-naphthalen-2-ide;phenanthrene;yttrium
CID 157394767
1,4-difluoro-2-methyl-5-propan-2-ylbenzene;1-ethyl-4-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;pentakis(1-methyl-4-propan-2-ylbenzene);N-methyl-1-(4-propan-2-ylphenyl)methanimine;5-methyl-2-propan-2-ylpyridine;5-propan-2-yl-1,3-benzodioxole;tris(6-propan-2-yl-1-benzofuran);6-propan-2-yl-1-benzothiophene;5-propan-2-yl-2,3-dihydro-1-benzofuran;N-(4-propan-2-ylphenyl)acetamide
CID 158089327
cis-(1R,3S)-1,3-dimethylcyclohexane;3,4-dimethyl-1-benzofuran;4,5-dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophene;3,4-dimethyl-1-benzothiophene;4,5-dimethyl-1-benzothiophene;2,3-dimethylpyridine;bis(1,2-xylene);1,3-xylene
CID 158770917
1,4-difluoro-2-methyl-5-propan-2-ylbenzene;1-ethyl-4-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;methane;1-methyl-3-propan-2-ylbenzene;pentakis(1-methyl-4-propan-2-ylbenzene);2-methyl-6-propan-2-yl-1,3-benzothiazole;2-methyl-6-propan-2-yl-1,3-benzoxazole;N-methyl-1-(4-propan-2-ylphenyl)methanimine;5-methyl-2-propan-2-ylpyridine;5-propan-2-yl-1-benzofuran;tris(6-propan-2-yl-1-benzofuran);6-propan-2-yl-1-benzothiophene;6-propan-2-yl-2,3-dihydro-1-benzofuran;5-propan-2-yl-2,3-dihydro-1H-indene;N-(4-propan-2-ylphenyl)acetamide
CID 158886029
12-(1-benzothiophen-3-yl)-23-thiahexacyclo[12.11.0.02,11.03,8.016,24.017,22]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),17,19,21-dodecaene;3-(26,26-dimethyl-5-oxaheptacyclo[15.11.0.02,14.04,12.06,11.019,27.020,25]octacosa-1(28),2,4(12),6,8,10,13,15,17,19(27),20,22,24-tridecaen-16-yl)pyridine;N,N-diphenyl-4-(10-thiapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-14-yl)aniline;20-(4-methoxyphenyl)-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 158906555
CID 159004713
CID 159004713
4-tert-butylaniline;3-tert-butylbenzamide;2-tert-butyl-1-benzothiophene;3-tert-butyl-1-benzothiophene;3-tert-butyl-N,N-dimethylaniline;5-tert-butyl-2-fluoroaniline;2-tert-butylfuran;5-tert-butyl-1H-indole;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;3-tert-butylphenol;4-tert-butylphenol;N-(4-tert-butylphenyl)acetamide;1-(3-tert-butylphenyl)ethanone;N-(3-tert-butylphenyl)methanesulfonamide;(3-tert-butylphenyl)methanol;6-tert-butylquinoline;2-tert-butylthiophene;3-tert-butylthiophene;1-(5-tert-butylthiophen-2-yl)ethanone
CID 159427812
1-[3-(1-benzofuran-5-yl)-1H-isoindol-5-yl]-2-[(3S)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]ethanone;1-[3-(1-benzothiophen-5-yl)-1H-isoindol-5-yl]-2-[(3S)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]ethanone;N-[2-hydroxy-5-[6-[2-[(3S)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]acetyl]-3H-isoindol-1-yl]phenyl]acetamide;1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]-2-[(3S)-1-[(2-propoxyphenyl)methyl]piperidin-3-yl]ethanone
CID 159433989
4-[17-(1-benzofuran-3-yl)-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(21),2(10),4,6,8,11,13,15,17,19-decaen-14-yl]-N,N-diphenylaniline;4-(5-isocyano-25-thiahexacyclo[12.11.0.02,11.03,8.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaen-10-yl)-N,N-diphenylaniline;14-(4-methoxyphenyl)-18-phenyl-19-thiophen-2-yl-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;3-[14-(4-methoxyphenyl)-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(21),2(10),4,6,8,11,13,15,17,19-decaen-20-yl]pyridine
CID 160099852
15-(1-Benzothiophen-3-yl)-20-oxa-4-thiaheptacyclo[15.11.0.02,14.03,11.05,10.019,27.021,26]octacosa-1,3(11),5,7,9,12,14,16,18,21,23,25,27-tridecaene;15-(4-methoxyphenyl)-20-oxa-4-thiaheptacyclo[15.11.0.02,14.03,11.05,10.019,27.021,26]octacosa-1,3(11),5,7,9,12,14,16,18,21,23,25,27-tridecaene;3-(20-oxa-4-thiaheptacyclo[15.11.0.02,14.03,11.05,10.019,27.021,26]octacosa-1,3(11),5,7,9,12,14,16,18,21,23,25,27-tridecaen-15-yl)-9-phenylcarbazole;3-(20-oxa-4-thiaheptacyclo[15.11.0.02,14.03,11.05,10.019,27.021,26]octacosa-1,3(11),5,7,9,12,14,16,18,21,23,25,27-tridecaen-15-yl)pyridine
CID 160398685
1,5-dimethylindole;1,6-dimethylindole;2,5-dimethyl-3H-isoindol-1-one;ethane;5-methyl-1-benzofuran;6-methyl-1-benzofuran;5-methyl-1-benzothiophene;6-methyl-1-benzothiophene;5-methyl-2,3-dihydro-1H-indene
CID 160411003

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;methane;1-methoxy-4-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);N-methyl-1-(4-propan-2-ylphenyl)methanimine;5-methyl-2-propan-2-ylpyridine;5-propan-2-yl-1-benzofuran;tris(6-propan-2-yl-1-benzofuran);6-propan-2-yl-2H-1,3-benzothiazol-2-ide;6-propan-2-yl-1-benzothiophene;6-propan-2-yl-2,3-dihydro-1-benzofuran;5-propan-2-yl-2,3-dihydro-1H-indene;N-(4-propan-2-ylphenyl)acetamide;(4-propan-2-ylphenyl)methanol;1,2,4-trifluoro-5-propan-2-ylbenzene;tungsten?
The IUPAC name of 2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;methane;1-methoxy-4-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);N-methyl-1-(4-propan-2-ylphenyl)methanimine;5-methyl-2-propan-2-ylpyridine;5-propan-2-yl-1-benzofuran;tris(6-propan-2-yl-1-benzofuran);6-propan-2-yl-2H-1,3-benzothiazol-2-ide;6-propan-2-yl-1-benzothiophene;6-propan-2-yl-2,3-dihydro-1-benzofuran;5-propan-2-yl-2,3-dihydro-1H-indene;N-(4-propan-2-ylphenyl)acetamide;(4-propan-2-ylphenyl)methanol;1,2,4-trifluoro-5-propan-2-ylbenzene;tungsten (CID 159807560) is 2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;methane;1-methoxy-4-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);N-methyl-1-(4-propan-2-ylphenyl)methanimine;5-methyl-2-propan-2-ylpyridine;5-propan-2-yl-1-benzofuran;tris(6-propan-2-yl-1-benzofuran);6-propan-2-yl-2H-1,3-benzothiazol-2-ide;6-propan-2-yl-1-benzothiophene;6-propan-2-yl-2,3-dihydro-1-benzofuran;5-propan-2-yl-2,3-dihydro-1H-indene;N-(4-propan-2-ylphenyl)acetamide;(4-propan-2-ylphenyl)methanol;1,2,4-trifluoro-5-propan-2-ylbenzene;tungsten.
What is the SMILES notation for 2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;methane;1-methoxy-4-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);N-methyl-1-(4-propan-2-ylphenyl)methanimine;5-methyl-2-propan-2-ylpyridine;5-propan-2-yl-1-benzofuran;tris(6-propan-2-yl-1-benzofuran);6-propan-2-yl-2H-1,3-benzothiazol-2-ide;6-propan-2-yl-1-benzothiophene;6-propan-2-yl-2,3-dihydro-1-benzofuran;5-propan-2-yl-2,3-dihydro-1H-indene;N-(4-propan-2-ylphenyl)acetamide;(4-propan-2-ylphenyl)methanol;1,2,4-trifluoro-5-propan-2-ylbenzene;tungsten?
The canonical SMILES for 2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;methane;1-methoxy-4-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);N-methyl-1-(4-propan-2-ylphenyl)methanimine;5-methyl-2-propan-2-ylpyridine;5-propan-2-yl-1-benzofuran;tris(6-propan-2-yl-1-benzofuran);6-propan-2-yl-2H-1,3-benzothiazol-2-ide;6-propan-2-yl-1-benzothiophene;6-propan-2-yl-2,3-dihydro-1-benzofuran;5-propan-2-yl-2,3-dihydro-1H-indene;N-(4-propan-2-ylphenyl)acetamide;(4-propan-2-ylphenyl)methanol;1,2,4-trifluoro-5-propan-2-ylbenzene;tungsten is C.C.C.C.C.C.C/N=C/c1ccc(C(C)C)cc1.CC(=O)Nc1ccc(C(C)C)cc1.CC(C)c1cc(F)c(F)cc1F.CC(C)c1ccc(CO)cc1.CC(C)c1ccc(F)cc1.CC(C)c1ccc2c(c1)CCC2.CC(C)c1ccc2c(c1)OCC2.CC(C)c1ccc2ccoc2c1.CC(C)c1ccc2ccoc2c1.CC(C)c1ccc2ccoc2c1.CC(C)c1ccc2ccsc2c1.CC(C)c1ccc2n[c-]sc2c1.CC(C)c1ccc2occc2c1.COc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1F.Cc1ccc(C(C)C)nc1.Cc1cccc(C(C)C)c1.[W].
What is the InChIKey of 2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;methane;1-methoxy-4-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);N-methyl-1-(4-propan-2-ylphenyl)methanimine;5-methyl-2-propan-2-ylpyridine;5-propan-2-yl-1-benzofuran;tris(6-propan-2-yl-1-benzofuran);6-propan-2-yl-2H-1,3-benzothiazol-2-ide;6-propan-2-yl-1-benzothiophene;6-propan-2-yl-2,3-dihydro-1-benzofuran;5-propan-2-yl-2,3-dihydro-1H-indene;N-(4-propan-2-ylphenyl)acetamide;(4-propan-2-ylphenyl)methanol;1,2,4-trifluoro-5-propan-2-ylbenzene;tungsten?
The InChIKey is NITDVTDYMUDVDX-LOHPMJOUSA-N. The full InChI is InChI=1S/C12H16.C11H15NO.C11H15N.C11H12O.C11H14O.3C11H12O.C11H12S.C10H13F.C10H10NS.2C10H14O.4C10H14.C9H9F3.C9H11F.C9H13N.6CH4.W/c1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-8(2)10-4-6-11(7-5-10)12-9(3)13;1-9(2)11-6-4-10(5-7-11)8-12-3;1-8(2)9-3-4-11-10(7-9)5-6-12-11;5*1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-7(2)9-5-4-8(3)10(11)6-9;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-8(2)9-4-6-10(11-3)7-5-9;1-8(2)10-5-3-9(7-11)4-6-10;3*1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-6-4-5-9(3)7-10;1-5(2)6-3-8(11)9(12)4-7(6)10;1-7(2)8-3-5-9(10)6-4-8;1-7(2)9-5-4-8(3)6-10-9;;;;;;;/h6-9H,3-5H2,1-2H3;4-8H,1-3H3,(H,12,13);4-9H,1-3H3;3-8H,1-2H3;3-4,7-8H,5-6H2,1-2H3;4*3-8H,1-2H3;4-7H,1-3H3;3-5,7H,1-2H3;4-8H,1-3H3;3-6,8,11H,7H2,1-2H3;4*4-8H,1-3H3;3-5H,1-2H3;3-7H,1-2H3;4-7H,1-3H3;6*1H4;/q;;;;;;;;;;-1;;;;;;;;;;;;;;;;/b;;12-8+;;;;;;;;;;;;;;;;;;;;;;;;.
What are the key properties of 2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;methane;1-methoxy-4-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);N-methyl-1-(4-propan-2-ylphenyl)methanimine;5-methyl-2-propan-2-ylpyridine;5-propan-2-yl-1-benzofuran;tris(6-propan-2-yl-1-benzofuran);6-propan-2-yl-2H-1,3-benzothiazol-2-ide;6-propan-2-yl-1-benzothiophene;6-propan-2-yl-2,3-dihydro-1-benzofuran;5-propan-2-yl-2,3-dihydro-1H-indene;N-(4-propan-2-ylphenyl)acetamide;(4-propan-2-ylphenyl)methanol;1,2,4-trifluoro-5-propan-2-ylbenzene;tungsten?
2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;methane;1-methoxy-4-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);N-methyl-1-(4-propan-2-ylphenyl)methanimine;5-methyl-2-propan-2-ylpyridine;5-propan-2-yl-1-benzofuran;tris(6-propan-2-yl-1-benzofuran);6-propan-2-yl-2H-1,3-benzothiazol-2-ide;6-propan-2-yl-1-benzothiophene;6-propan-2-yl-2,3-dihydro-1-benzofuran;5-propan-2-yl-2,3-dihydro-1H-indene;N-(4-propan-2-ylphenyl)acetamide;(4-propan-2-ylphenyl)methanol;1,2,4-trifluoro-5-propan-2-ylbenzene;tungsten has a molecular weight of 3371.60 g/mol, XLogP of 66.50, 24 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;methane;1-methoxy-4-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);N-methyl-1-(4-propan-2-ylphenyl)methanimine;5-methyl-2-propan-2-ylpyridine;5-propan-2-yl-1-benzofuran;tris(6-propan-2-yl-1-benzofuran);6-propan-2-yl-2H-1,3-benzothiazol-2-ide;6-propan-2-yl-1-benzothiophene;6-propan-2-yl-2,3-dihydro-1-benzofuran;5-propan-2-yl-2,3-dihydro-1H-indene;N-(4-propan-2-ylphenyl)acetamide;(4-propan-2-ylphenyl)methanol;1,2,4-trifluoro-5-propan-2-ylbenzene;tungsten is sourced from PubChem (CID 159807560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).