1-tert-butylpyrrolidine;cumene;1,1-difluoro-4-methylpentane;2,3-dimethylbutane;2,5-dimethylhexane;2,4-dimethylpentane;2,4-dimethylpent-2-ene;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-4-propan-2-ylbenzene;2-methylhexane;2-methylpentane;1-methyl-2-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrrole;2-methyl-5-propan-2-ylthiophene;2-methylpropylbenzene;2-methylpropylcyclobutane;2-methylpropylcyclopentane;2-methylpropylcyclopropane;propan-2-ylcyclobutane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;1-propan-2-ylcyclopentene;propan-2-ylcyclopropane;2-propan-2-ylfuran;4-propan-2-yl-1H-pyrazole;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1,1,1-trifluoro-4-methylpentane;2,2,3-trimethylbutane;2,2,4-trimethylpentane;2,3,3-trimethylpentane

C247H453F7N8OS4 — CID 158853720

IUPAC1-tert-butylpyrrolidine;cumene;1,1-difluoro-4-methylpentane;2,3-dimethylbutane;2,5-dimethylhexane;2,4-dimethylpentane;2,4-dimethylpent-2-ene;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-4-propan-2-ylbenzene;2-methylhexane;2-methylpentane;1-methyl-2-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrrole;2-methyl-5-propan-2-ylthiophene;2-methylpropylbenzene;2-methylpropylcyclobutane;2-methylpropylcyclopentane;2-methylpropylcyclopropane;propan-2-ylcyclobutane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;1-propan-2-ylcyclopentene;propan-2-ylcyclopropane;2-propan-2-ylfuran;4-propan-2-yl-1H-pyrazole;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1,1,1-trifluoro-4-methylpentane;2,2,3-trimethylbutane;2,2,4-trimethylpentane;2,3,3-trimethylpentane
SMILESCC(C)(C)N1CCCC1.CC(C)=CC(C)C.CC(C)C(C)(C)C.CC(C)C(C)C.CC(C)C1=CCCC1.CC(C)C1CC1.CC(C)C1CCC1.CC(C)C1CCCC1.CC(C)C1CCCCC1.CC(C)CC(C)(C)C.CC(C)CC(C)C.CC(C)CC1CC1.CC(C)CC1CCC1.CC(C)CC1CCCC1.CC(C)CCC(C)C.CC(C)CCC(F)(F)F.CC(C)CCC(F)F.CC(C)Cc1cccc(F)c1.CC(C)Cc1ccccc1.CC(C)c1cc[nH]c1.CC(C)c1ccc(F)cc1.CC(C)c1ccccc1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccn(C)c1.CC(C)c1ccsc1.CC(C)c1cn[nH]c1.CC(C)c1cncs1.CC(C)c1nccn1C.CCC(C)(C)C(C)C.CCCC(C)C.CCCCC(C)C.Cc1ccc(C(C)C)s1
InChIInChI=1S/C10H13F.C10H14.C9H11F.2C9H18.C9H12.C8H13N.C8H17N.C8H12S.2C8H16.C8H14.3C8H18.C7H12N2.C7H11N.C7H10O.2C7H10S.2C7H14.2C7H16.C7H14.C7H16.C6H11F3.C6H12F2.C6H10N2.C6H9NS.C6H12.2C6H14/c1-8(2)6-9-4-3-5-10(11)7-9;1-9(2)8-10-6-4-3-5-7-10;1-7(2)8-3-5-9(10)6-4-8;1-8(2)7-9-5-3-4-6-9;2*1-8(2)9-6-4-3-5-7-9;1-7(2)8-4-5-9(3)6-8;1-8(2,3)9-6-4-5-7-9;1-6(2)8-5-4-7(3)9-8;1-7(2)6-8-4-3-5-8;2*1-7(2)8-5-3-4-6-8;1-7(2)6-8(3,4)5;1-7(2)5-6-8(3)4;1-6-8(4,5)7(2)3;1-6(2)7-8-4-5-9(7)3;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-6(2)5-7-3-4-7;1-6(2)7-4-3-5-7;1-6(2)7(3,4)5;2*1-6(2)5-7(3)4;1-4-5-6-7(2)3;1-5(2)3-4-6(7,8)9;1-5(2)3-4-6(7)8;1-5(2)6-3-7-8-4-6;1-5(2)6-3-7-4-8-6;1-5(2)6-3-4-6;1-5(2)6(3)4;1-4-5-6(2)3/h3-5,7-8H,6H2,1-2H3;3-7,9H,8H2,1-2H3;3-7H,1-2H3;2*8-9H,3-7H2,1-2H3;3-8H,1-2H3;4-7H,1-3H3;4-7H2,1-3H3;4-6H,1-3H3;2*7-8H,3-6H2,1-2H3;5,7H,3-4,6H2,1-2H3;7H,6H2,1-5H3;7-8H,5-6H2,1-4H3;7H,6H2,1-5H3;4-6H,1-3H3;3-6,8H,1-2H3;3*3-6H,1-2H3;2*6-7H,3-5H2,1-2H3;6H,1-5H3;6-7H,5H2,1-4H3;5-6H,1-4H3;7H,4-6H2,1-3H3;5H,3-4H2,1-2H3;5-6H,3-4H2,1-2H3;3-5H,1-2H3,(H,7,8);3-5H,1-2H3;5-6H,3-4H2,1-2H3;5-6H,1-4H3;6H,4-5H2,1-3H3
InChIKeyIZTVLPIDLFCIFG-UHFFFAOYSA-N
MW3812.65 g/mol
LogP86.77
Rot. Bonds46

About 1-tert-butylpyrrolidine;cumene;1,1-difluoro-4-methylpentane;2,3-dimethylbutane;2,5-dimethylhexane;2,4-dimethylpentane;2,4-dimethylpent-2-ene;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-4-propan-2-ylbenzene;2-methylhexane;2-methylpentane;1-methyl-2-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrrole;2-methyl-5-propan-2-ylthiophene;2-methylpropylbenzene;2-methylpropylcyclobutane;2-methylpropylcyclopentane;2-methylpropylcyclopropane;propan-2-ylcyclobutane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;1-propan-2-ylcyclopentene;propan-2-ylcyclopropane;2-propan-2-ylfuran;4-propan-2-yl-1H-pyrazole;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1,1,1-trifluoro-4-methylpentane;2,2,3-trimethylbutane;2,2,4-trimethylpentane;2,3,3-trimethylpentane

1-tert-butylpyrrolidine;cumene;1,1-difluoro-4-methylpentane;2,3-dimethylbutane;2,5-dimethylhexane;2,4-dimethylpentane;2,4-dimethylpent-2-ene;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-4-propan-2-ylbenzene;2-methylhexane;2-methylpentane;1-methyl-2-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrrole;2-methyl-5-propan-2-ylthiophene;2-methylpropylbenzene;2-methylpropylcyclobutane;2-methylpropylcyclopentane;2-methylpropylcyclopropane;propan-2-ylcyclobutane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;1-propan-2-ylcyclopentene;propan-2-ylcyclopropane;2-propan-2-ylfuran;4-propan-2-yl-1H-pyrazole;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1,1,1-trifluoro-4-methylpentane;2,2,3-trimethylbutane;2,2,4-trimethylpentane;2,3,3-trimethylpentane (PubChem CID 158853720) has the molecular formula C247H453F7N8OS4 and a molecular weight of 3812.65 g/mol. Its IUPAC name is 1-tert-butylpyrrolidine;cumene;1,1-difluoro-4-methylpentane;2,3-dimethylbutane;2,5-dimethylhexane;2,4-dimethylpentane;2,4-dimethylpent-2-ene;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-4-propan-2-ylbenzene;2-methylhexane;2-methylpentane;1-methyl-2-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrrole;2-methyl-5-propan-2-ylthiophene;2-methylpropylbenzene;2-methylpropylcyclobutane;2-methylpropylcyclopentane;2-methylpropylcyclopropane;propan-2-ylcyclobutane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;1-propan-2-ylcyclopentene;propan-2-ylcyclopropane;2-propan-2-ylfuran;4-propan-2-yl-1H-pyrazole;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1,1,1-trifluoro-4-methylpentane;2,2,3-trimethylbutane;2,2,4-trimethylpentane;2,3,3-trimethylpentane.

Molecular Properties

Compound Name1-tert-butylpyrrolidine;cumene;1,1-difluoro-4-methylpentane;2,3-dimethylbutane;2,5-dimethylhexane;2,4-dimethylpentane;2,4-dimethylpent-2-ene;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-4-propan-2-ylbenzene;2-methylhexane;2-methylpentane;1-methyl-2-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrrole;2-methyl-5-propan-2-ylthiophene;2-methylpropylbenzene;2-methylpropylcyclobutane;2-methylpropylcyclopentane;2-methylpropylcyclopropane;propan-2-ylcyclobutane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;1-propan-2-ylcyclopentene;propan-2-ylcyclopropane;2-propan-2-ylfuran;4-propan-2-yl-1H-pyrazole;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1,1,1-trifluoro-4-methylpentane;2,2,3-trimethylbutane;2,2,4-trimethylpentane;2,3,3-trimethylpentane
PubChem CID158853720
Molecular FormulaC247H453F7N8OS4
Molecular Weight3812.65 g/mol
Exact Mass3809.44
IUPAC Name1-tert-butylpyrrolidine;cumene;1,1-difluoro-4-methylpentane;2,3-dimethylbutane;2,5-dimethylhexane;2,4-dimethylpentane;2,4-dimethylpent-2-ene;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-4-propan-2-ylbenzene;2-methylhexane;2-methylpentane;1-methyl-2-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrrole;2-methyl-5-propan-2-ylthiophene;2-methylpropylbenzene;2-methylpropylcyclobutane;2-methylpropylcyclopentane;2-methylpropylcyclopropane;propan-2-ylcyclobutane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;1-propan-2-ylcyclopentene;propan-2-ylcyclopropane;2-propan-2-ylfuran;4-propan-2-yl-1H-pyrazole;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1,1,1-trifluoro-4-methylpentane;2,2,3-trimethylbutane;2,2,4-trimethylpentane;2,3,3-trimethylpentane
SMILESCC(C)(C)N1CCCC1.CC(C)=CC(C)C.CC(C)C(C)(C)C.CC(C)C(C)C.CC(C)C1=CCCC1.CC(C)C1CC1.CC(C)C1CCC1.CC(C)C1CCCC1.CC(C)C1CCCCC1.CC(C)CC(C)(C)C.CC(C)CC(C)C.CC(C)CC1CC1.CC(C)CC1CCC1.CC(C)CC1CCCC1.CC(C)CCC(C)C.CC(C)CCC(F)(F)F.CC(C)CCC(F)F.CC(C)Cc1cccc(F)c1.CC(C)Cc1ccccc1.CC(C)c1cc[nH]c1.CC(C)c1ccc(F)cc1.CC(C)c1ccccc1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccn(C)c1.CC(C)c1ccsc1.CC(C)c1cn[nH]c1.CC(C)c1cncs1.CC(C)c1nccn1C.CCC(C)(C)C(C)C.CCCC(C)C.CCCCC(C)C.Cc1ccc(C(C)C)s1
InChIInChI=1S/C10H13F.C10H14.C9H11F.2C9H18.C9H12.C8H13N.C8H17N.C8H12S.2C8H16.C8H14.3C8H18.C7H12N2.C7H11N.C7H10O.2C7H10S.2C7H14.2C7H16.C7H14.C7H16.C6H11F3.C6H12F2.C6H10N2.C6H9NS.C6H12.2C6H14/c1-8(2)6-9-4-3-5-10(11)7-9;1-9(2)8-10-6-4-3-5-7-10;1-7(2)8-3-5-9(10)6-4-8;1-8(2)7-9-5-3-4-6-9;2*1-8(2)9-6-4-3-5-7-9;1-7(2)8-4-5-9(3)6-8;1-8(2,3)9-6-4-5-7-9;1-6(2)8-5-4-7(3)9-8;1-7(2)6-8-4-3-5-8;2*1-7(2)8-5-3-4-6-8;1-7(2)6-8(3,4)5;1-7(2)5-6-8(3)4;1-6-8(4,5)7(2)3;1-6(2)7-8-4-5-9(7)3;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-6(2)5-7-3-4-7;1-6(2)7-4-3-5-7;1-6(2)7(3,4)5;2*1-6(2)5-7(3)4;1-4-5-6-7(2)3;1-5(2)3-4-6(7,8)9;1-5(2)3-4-6(7)8;1-5(2)6-3-7-8-4-6;1-5(2)6-3-7-4-8-6;1-5(2)6-3-4-6;1-5(2)6(3)4;1-4-5-6(2)3/h3-5,7-8H,6H2,1-2H3;3-7,9H,8H2,1-2H3;3-7H,1-2H3;2*8-9H,3-7H2,1-2H3;3-8H,1-2H3;4-7H,1-3H3;4-7H2,1-3H3;4-6H,1-3H3;2*7-8H,3-6H2,1-2H3;5,7H,3-4,6H2,1-2H3;7H,6H2,1-5H3;7-8H,5-6H2,1-4H3;7H,6H2,1-5H3;4-6H,1-3H3;3-6,8H,1-2H3;3*3-6H,1-2H3;2*6-7H,3-5H2,1-2H3;6H,1-5H3;6-7H,5H2,1-4H3;5-6H,1-4H3;7H,4-6H2,1-3H3;5H,3-4H2,1-2H3;5-6H,3-4H2,1-2H3;3-5H,1-2H3,(H,7,8);3-5H,1-2H3;5-6H,3-4H2,1-2H3;5-6H,1-4H3;6H,4-5H2,1-3H3
InChIKeyIZTVLPIDLFCIFG-UHFFFAOYSA-N
XLogP86.77
TPSA96.49 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds46
Heavy Atoms267
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003812.65
LogP ≤ 586.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 1-tert-butylpyrrolidine;cumene;1,1-difluoro-4-methylpentane;2,3-dimethylbutane;2,5-dimethylhexane;2,4-dimethylpentane;2,4-dimethylpent-2-ene;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-4-propan-2-ylbenzene;2-methylhexane;2-methylpentane;1-methyl-2-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrrole;2-methyl-5-propan-2-ylthiophene;2-methylpropylbenzene;2-methylpropylcyclobutane;2-methylpropylcyclopentane;2-methylpropylcyclopropane;propan-2-ylcyclobutane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;1-propan-2-ylcyclopentene;propan-2-ylcyclopropane;2-propan-2-ylfuran;4-propan-2-yl-1H-pyrazole;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1,1,1-trifluoro-4-methylpentane;2,2,3-trimethylbutane;2,2,4-trimethylpentane;2,3,3-trimethylpentane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butylpyrrolidine;cumene;1,1-difluoro-4-methylpentane;2,3-dimethylbutane;2,5-dimethylhexane;2,4-dimethylpentane;2,4-dimethylpent-2-ene;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-4-propan-2-ylbenzene;2-methylhexane;2-methylpentane;1-methyl-2-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrrole;2-methyl-5-propan-2-ylthiophene;2-methylpropylbenzene;2-methylpropylcyclobutane;2-methylpropylcyclopentane;2-methylpropylcyclopropane;propan-2-ylcyclobutane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;1-propan-2-ylcyclopentene;propan-2-ylcyclopropane;2-propan-2-ylfuran;4-propan-2-yl-1H-pyrazole;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1,1,1-trifluoro-4-methylpentane;2,2,3-trimethylbutane;2,2,4-trimethylpentane;2,3,3-trimethylpentane?
The IUPAC name of 1-tert-butylpyrrolidine;cumene;1,1-difluoro-4-methylpentane;2,3-dimethylbutane;2,5-dimethylhexane;2,4-dimethylpentane;2,4-dimethylpent-2-ene;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-4-propan-2-ylbenzene;2-methylhexane;2-methylpentane;1-methyl-2-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrrole;2-methyl-5-propan-2-ylthiophene;2-methylpropylbenzene;2-methylpropylcyclobutane;2-methylpropylcyclopentane;2-methylpropylcyclopropane;propan-2-ylcyclobutane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;1-propan-2-ylcyclopentene;propan-2-ylcyclopropane;2-propan-2-ylfuran;4-propan-2-yl-1H-pyrazole;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1,1,1-trifluoro-4-methylpentane;2,2,3-trimethylbutane;2,2,4-trimethylpentane;2,3,3-trimethylpentane (CID 158853720) is 1-tert-butylpyrrolidine;cumene;1,1-difluoro-4-methylpentane;2,3-dimethylbutane;2,5-dimethylhexane;2,4-dimethylpentane;2,4-dimethylpent-2-ene;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-4-propan-2-ylbenzene;2-methylhexane;2-methylpentane;1-methyl-2-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrrole;2-methyl-5-propan-2-ylthiophene;2-methylpropylbenzene;2-methylpropylcyclobutane;2-methylpropylcyclopentane;2-methylpropylcyclopropane;propan-2-ylcyclobutane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;1-propan-2-ylcyclopentene;propan-2-ylcyclopropane;2-propan-2-ylfuran;4-propan-2-yl-1H-pyrazole;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1,1,1-trifluoro-4-methylpentane;2,2,3-trimethylbutane;2,2,4-trimethylpentane;2,3,3-trimethylpentane.
What is the SMILES notation for 1-tert-butylpyrrolidine;cumene;1,1-difluoro-4-methylpentane;2,3-dimethylbutane;2,5-dimethylhexane;2,4-dimethylpentane;2,4-dimethylpent-2-ene;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-4-propan-2-ylbenzene;2-methylhexane;2-methylpentane;1-methyl-2-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrrole;2-methyl-5-propan-2-ylthiophene;2-methylpropylbenzene;2-methylpropylcyclobutane;2-methylpropylcyclopentane;2-methylpropylcyclopropane;propan-2-ylcyclobutane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;1-propan-2-ylcyclopentene;propan-2-ylcyclopropane;2-propan-2-ylfuran;4-propan-2-yl-1H-pyrazole;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1,1,1-trifluoro-4-methylpentane;2,2,3-trimethylbutane;2,2,4-trimethylpentane;2,3,3-trimethylpentane?
The canonical SMILES for 1-tert-butylpyrrolidine;cumene;1,1-difluoro-4-methylpentane;2,3-dimethylbutane;2,5-dimethylhexane;2,4-dimethylpentane;2,4-dimethylpent-2-ene;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-4-propan-2-ylbenzene;2-methylhexane;2-methylpentane;1-methyl-2-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrrole;2-methyl-5-propan-2-ylthiophene;2-methylpropylbenzene;2-methylpropylcyclobutane;2-methylpropylcyclopentane;2-methylpropylcyclopropane;propan-2-ylcyclobutane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;1-propan-2-ylcyclopentene;propan-2-ylcyclopropane;2-propan-2-ylfuran;4-propan-2-yl-1H-pyrazole;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1,1,1-trifluoro-4-methylpentane;2,2,3-trimethylbutane;2,2,4-trimethylpentane;2,3,3-trimethylpentane is CC(C)(C)N1CCCC1.CC(C)=CC(C)C.CC(C)C(C)(C)C.CC(C)C(C)C.CC(C)C1=CCCC1.CC(C)C1CC1.CC(C)C1CCC1.CC(C)C1CCCC1.CC(C)C1CCCCC1.CC(C)CC(C)(C)C.CC(C)CC(C)C.CC(C)CC1CC1.CC(C)CC1CCC1.CC(C)CC1CCCC1.CC(C)CCC(C)C.CC(C)CCC(F)(F)F.CC(C)CCC(F)F.CC(C)Cc1cccc(F)c1.CC(C)Cc1ccccc1.CC(C)c1cc[nH]c1.CC(C)c1ccc(F)cc1.CC(C)c1ccccc1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccn(C)c1.CC(C)c1ccsc1.CC(C)c1cn[nH]c1.CC(C)c1cncs1.CC(C)c1nccn1C.CCC(C)(C)C(C)C.CCCC(C)C.CCCCC(C)C.Cc1ccc(C(C)C)s1.
What is the InChIKey of 1-tert-butylpyrrolidine;cumene;1,1-difluoro-4-methylpentane;2,3-dimethylbutane;2,5-dimethylhexane;2,4-dimethylpentane;2,4-dimethylpent-2-ene;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-4-propan-2-ylbenzene;2-methylhexane;2-methylpentane;1-methyl-2-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrrole;2-methyl-5-propan-2-ylthiophene;2-methylpropylbenzene;2-methylpropylcyclobutane;2-methylpropylcyclopentane;2-methylpropylcyclopropane;propan-2-ylcyclobutane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;1-propan-2-ylcyclopentene;propan-2-ylcyclopropane;2-propan-2-ylfuran;4-propan-2-yl-1H-pyrazole;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1,1,1-trifluoro-4-methylpentane;2,2,3-trimethylbutane;2,2,4-trimethylpentane;2,3,3-trimethylpentane?
The InChIKey is IZTVLPIDLFCIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F.C10H14.C9H11F.2C9H18.C9H12.C8H13N.C8H17N.C8H12S.2C8H16.C8H14.3C8H18.C7H12N2.C7H11N.C7H10O.2C7H10S.2C7H14.2C7H16.C7H14.C7H16.C6H11F3.C6H12F2.C6H10N2.C6H9NS.C6H12.2C6H14/c1-8(2)6-9-4-3-5-10(11)7-9;1-9(2)8-10-6-4-3-5-7-10;1-7(2)8-3-5-9(10)6-4-8;1-8(2)7-9-5-3-4-6-9;2*1-8(2)9-6-4-3-5-7-9;1-7(2)8-4-5-9(3)6-8;1-8(2,3)9-6-4-5-7-9;1-6(2)8-5-4-7(3)9-8;1-7(2)6-8-4-3-5-8;2*1-7(2)8-5-3-4-6-8;1-7(2)6-8(3,4)5;1-7(2)5-6-8(3)4;1-6-8(4,5)7(2)3;1-6(2)7-8-4-5-9(7)3;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-6(2)5-7-3-4-7;1-6(2)7-4-3-5-7;1-6(2)7(3,4)5;2*1-6(2)5-7(3)4;1-4-5-6-7(2)3;1-5(2)3-4-6(7,8)9;1-5(2)3-4-6(7)8;1-5(2)6-3-7-8-4-6;1-5(2)6-3-7-4-8-6;1-5(2)6-3-4-6;1-5(2)6(3)4;1-4-5-6(2)3/h3-5,7-8H,6H2,1-2H3;3-7,9H,8H2,1-2H3;3-7H,1-2H3;2*8-9H,3-7H2,1-2H3;3-8H,1-2H3;4-7H,1-3H3;4-7H2,1-3H3;4-6H,1-3H3;2*7-8H,3-6H2,1-2H3;5,7H,3-4,6H2,1-2H3;7H,6H2,1-5H3;7-8H,5-6H2,1-4H3;7H,6H2,1-5H3;4-6H,1-3H3;3-6,8H,1-2H3;3*3-6H,1-2H3;2*6-7H,3-5H2,1-2H3;6H,1-5H3;6-7H,5H2,1-4H3;5-6H,1-4H3;7H,4-6H2,1-3H3;5H,3-4H2,1-2H3;5-6H,3-4H2,1-2H3;3-5H,1-2H3,(H,7,8);3-5H,1-2H3;5-6H,3-4H2,1-2H3;5-6H,1-4H3;6H,4-5H2,1-3H3.
What are the key properties of 1-tert-butylpyrrolidine;cumene;1,1-difluoro-4-methylpentane;2,3-dimethylbutane;2,5-dimethylhexane;2,4-dimethylpentane;2,4-dimethylpent-2-ene;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-4-propan-2-ylbenzene;2-methylhexane;2-methylpentane;1-methyl-2-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrrole;2-methyl-5-propan-2-ylthiophene;2-methylpropylbenzene;2-methylpropylcyclobutane;2-methylpropylcyclopentane;2-methylpropylcyclopropane;propan-2-ylcyclobutane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;1-propan-2-ylcyclopentene;propan-2-ylcyclopropane;2-propan-2-ylfuran;4-propan-2-yl-1H-pyrazole;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1,1,1-trifluoro-4-methylpentane;2,2,3-trimethylbutane;2,2,4-trimethylpentane;2,3,3-trimethylpentane?
1-tert-butylpyrrolidine;cumene;1,1-difluoro-4-methylpentane;2,3-dimethylbutane;2,5-dimethylhexane;2,4-dimethylpentane;2,4-dimethylpent-2-ene;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-4-propan-2-ylbenzene;2-methylhexane;2-methylpentane;1-methyl-2-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrrole;2-methyl-5-propan-2-ylthiophene;2-methylpropylbenzene;2-methylpropylcyclobutane;2-methylpropylcyclopentane;2-methylpropylcyclopropane;propan-2-ylcyclobutane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;1-propan-2-ylcyclopentene;propan-2-ylcyclopropane;2-propan-2-ylfuran;4-propan-2-yl-1H-pyrazole;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1,1,1-trifluoro-4-methylpentane;2,2,3-trimethylbutane;2,2,4-trimethylpentane;2,3,3-trimethylpentane has a molecular weight of 3812.65 g/mol, XLogP of 86.77, 46 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylpyrrolidine;cumene;1,1-difluoro-4-methylpentane;2,3-dimethylbutane;2,5-dimethylhexane;2,4-dimethylpentane;2,4-dimethylpent-2-ene;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-4-propan-2-ylbenzene;2-methylhexane;2-methylpentane;1-methyl-2-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrrole;2-methyl-5-propan-2-ylthiophene;2-methylpropylbenzene;2-methylpropylcyclobutane;2-methylpropylcyclopentane;2-methylpropylcyclopropane;propan-2-ylcyclobutane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;1-propan-2-ylcyclopentene;propan-2-ylcyclopropane;2-propan-2-ylfuran;4-propan-2-yl-1H-pyrazole;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1,1,1-trifluoro-4-methylpentane;2,2,3-trimethylbutane;2,2,4-trimethylpentane;2,3,3-trimethylpentane is sourced from PubChem (CID 158853720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).