ethane;ethanone;1-fluoro-2-methylpropane;2-methanidylpropane;1-methyl-3-(2-methylpropyl)indole;bis(5-methyl-1-(2-methylpropyl)indole);2-methylpropylbenzene;3-(2-methylpropyl)-1H-indole;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)pyrazole;4-(2-methylpropyl)pyridine;propan-2-ylcyclohexane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;1,1,1-trifluoro-3-methylbutane;yttrium

C125H204F4N8O2Y-2 — CID 158962932

IUPACethane;ethanone;1-fluoro-2-methylpropane;2-methanidylpropane;1-methyl-3-(2-methylpropyl)indole;bis(5-methyl-1-(2-methylpropyl)indole);2-methylpropylbenzene;3-(2-methylpropyl)-1H-indole;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)pyrazole;4-(2-methylpropyl)pyridine;propan-2-ylcyclohexane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;1,1,1-trifluoro-3-methylbutane;yttrium
SMILESCC.CC(C)C1CC1.CC(C)C1CCCC1.CC(C)C1CCCCC1.CC(C)CC(F)(F)F.CC(C)CF.CC(C)CN1CCOCC1.CC(C)Cc1c[nH]c2ccccc12.CC(C)Cc1ccccc1.CC(C)Cc1ccncc1.CC(C)Cc1cn(C)c2ccccc12.CC(C)Cn1cccn1.C[C-]=O.Cc1ccc2c(ccn2CC(C)C)c1.Cc1ccc2c(ccn2CC(C)C)c1.[CH2-]C(C)C.[Y]
InChIInChI=1S/3C13H17N.C12H15N.C10H14.C9H13N.C9H18.C8H17NO.C8H16.C7H12N2.C6H12.C5H9F3.C4H9F.C4H9.C2H3O.C2H6.Y/c2*1-10(2)9-14-7-6-12-8-11(3)4-5-13(12)14;1-10(2)8-11-9-14(3)13-7-5-4-6-12(11)13;1-9(2)7-10-8-13-12-6-4-3-5-11(10)12;1-9(2)8-10-6-4-3-5-7-10;1-8(2)7-9-3-5-10-6-4-9;1-8(2)9-6-4-3-5-7-9;1-8(2)7-9-3-5-10-6-4-9;1-7(2)8-5-3-4-6-8;1-7(2)6-9-5-3-4-8-9;1-5(2)6-3-4-6;1-4(2)3-5(6,7)8;1-4(2)3-5;1-4(2)3;1-2-3;1-2;/h2*4-8,10H,9H2,1-3H3;4-7,9-10H,8H2,1-3H3;3-6,8-9,13H,7H2,1-2H3;3-7,9H,8H2,1-2H3;3-6,8H,7H2,1-2H3;8-9H,3-7H2,1-2H3;8H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;3-5,7H,6H2,1-2H3;5-6H,3-4H2,1-2H3;4H,3H2,1-2H3;4H,3H2,1-2H3;4H,1H2,2-3H3;1H3;1-2H3;/q;;;;;;;;;;;;;2*-1;;
InChIKeyZNLIETSJOKAKAG-UHFFFAOYSA-N
MW2015.96 g/mol
LogP36.56
Rot. Bonds21

About ethane;ethanone;1-fluoro-2-methylpropane;2-methanidylpropane;1-methyl-3-(2-methylpropyl)indole;bis(5-methyl-1-(2-methylpropyl)indole);2-methylpropylbenzene;3-(2-methylpropyl)-1H-indole;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)pyrazole;4-(2-methylpropyl)pyridine;propan-2-ylcyclohexane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;1,1,1-trifluoro-3-methylbutane;yttrium

ethane;ethanone;1-fluoro-2-methylpropane;2-methanidylpropane;1-methyl-3-(2-methylpropyl)indole;bis(5-methyl-1-(2-methylpropyl)indole);2-methylpropylbenzene;3-(2-methylpropyl)-1H-indole;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)pyrazole;4-(2-methylpropyl)pyridine;propan-2-ylcyclohexane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;1,1,1-trifluoro-3-methylbutane;yttrium (PubChem CID 158962932) has the molecular formula C125H204F4N8O2Y-2 and a molecular weight of 2015.96 g/mol. Its IUPAC name is ethane;ethanone;1-fluoro-2-methylpropane;2-methanidylpropane;1-methyl-3-(2-methylpropyl)indole;bis(5-methyl-1-(2-methylpropyl)indole);2-methylpropylbenzene;3-(2-methylpropyl)-1H-indole;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)pyrazole;4-(2-methylpropyl)pyridine;propan-2-ylcyclohexane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;1,1,1-trifluoro-3-methylbutane;yttrium.

Molecular Properties

Compound Nameethane;ethanone;1-fluoro-2-methylpropane;2-methanidylpropane;1-methyl-3-(2-methylpropyl)indole;bis(5-methyl-1-(2-methylpropyl)indole);2-methylpropylbenzene;3-(2-methylpropyl)-1H-indole;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)pyrazole;4-(2-methylpropyl)pyridine;propan-2-ylcyclohexane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;1,1,1-trifluoro-3-methylbutane;yttrium
PubChem CID158962932
Molecular FormulaC125H204F4N8O2Y-2
Molecular Weight2015.96 g/mol
Exact Mass2014.51
IUPAC Nameethane;ethanone;1-fluoro-2-methylpropane;2-methanidylpropane;1-methyl-3-(2-methylpropyl)indole;bis(5-methyl-1-(2-methylpropyl)indole);2-methylpropylbenzene;3-(2-methylpropyl)-1H-indole;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)pyrazole;4-(2-methylpropyl)pyridine;propan-2-ylcyclohexane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;1,1,1-trifluoro-3-methylbutane;yttrium
SMILESCC.CC(C)C1CC1.CC(C)C1CCCC1.CC(C)C1CCCCC1.CC(C)CC(F)(F)F.CC(C)CF.CC(C)CN1CCOCC1.CC(C)Cc1c[nH]c2ccccc12.CC(C)Cc1ccccc1.CC(C)Cc1ccncc1.CC(C)Cc1cn(C)c2ccccc12.CC(C)Cn1cccn1.C[C-]=O.Cc1ccc2c(ccn2CC(C)C)c1.Cc1ccc2c(ccn2CC(C)C)c1.[CH2-]C(C)C.[Y]
InChIInChI=1S/3C13H17N.C12H15N.C10H14.C9H13N.C9H18.C8H17NO.C8H16.C7H12N2.C6H12.C5H9F3.C4H9F.C4H9.C2H3O.C2H6.Y/c2*1-10(2)9-14-7-6-12-8-11(3)4-5-13(12)14;1-10(2)8-11-9-14(3)13-7-5-4-6-12(11)13;1-9(2)7-10-8-13-12-6-4-3-5-11(10)12;1-9(2)8-10-6-4-3-5-7-10;1-8(2)7-9-3-5-10-6-4-9;1-8(2)9-6-4-3-5-7-9;1-8(2)7-9-3-5-10-6-4-9;1-7(2)8-5-3-4-6-8;1-7(2)6-9-5-3-4-8-9;1-5(2)6-3-4-6;1-4(2)3-5(6,7)8;1-4(2)3-5;1-4(2)3;1-2-3;1-2;/h2*4-8,10H,9H2,1-3H3;4-7,9-10H,8H2,1-3H3;3-6,8-9,13H,7H2,1-2H3;3-7,9H,8H2,1-2H3;3-6,8H,7H2,1-2H3;8-9H,3-7H2,1-2H3;8H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;3-5,7H,6H2,1-2H3;5-6H,3-4H2,1-2H3;4H,3H2,1-2H3;4H,3H2,1-2H3;4H,1H2,2-3H3;1H3;1-2H3;/q;;;;;;;;;;;;;2*-1;;
InChIKeyZNLIETSJOKAKAG-UHFFFAOYSA-N
XLogP36.56
TPSA90.83 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds21
Heavy Atoms140
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002015.96
LogP ≤ 536.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze ethane;ethanone;1-fluoro-2-methylpropane;2-methanidylpropane;1-methyl-3-(2-methylpropyl)indole;bis(5-methyl-1-(2-methylpropyl)indole);2-methylpropylbenzene;3-(2-methylpropyl)-1H-indole;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)pyrazole;4-(2-methylpropyl)pyridine;propan-2-ylcyclohexane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;1,1,1-trifluoro-3-methylbutane;yttrium with MolForge

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Related Compounds

2-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]ethanol;6-fluoro-3-(1-piperidin-4-ylpyrazol-4-yl)-1H-indole;3-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]-1H-indole
CID 118064603
5-[5-(1-cyclohexylethenylamino)-3-pyridinyl]-N-[3-[3-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-1H-indol-4-yl]-5-fluorophenyl]propyl]-3-[4-[3-[3-(dimethylamino)propyl]-5-fluorophenyl]-6,7-dihydro-1H-indol-2-yl]-N-methylindazol-1-amine;ethane
CID 145247990
ethane;ethanone;2-methanidylpropane;2-methylbutane;1-methyl-3-(2-methylpropyl)indole;5-methyl-1-(2-methylpropyl)indole;bis(2-methylpropylbenzene);3-(2-methylpropyl)-1H-indole;1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrazole;propan-2-ylcyclohexane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;1,1,1-trifluoro-3-methylbutane;yttrium
CID 157212232
ethane;ethanone;1-fluoro-2-methylpropane;2-methanidylpropane;1-methyl-3-(2-methylpropyl)indole;5-methyl-1-(2-methylpropyl)indole;2-methylpropylbenzene;3-(2-methylpropyl)-1H-indole;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)pyrazole;4-(2-methylpropyl)pyridine;propan-2-ylcyclohexane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;1,1,1-trifluoro-3-methylbutane;yttrium
CID 157284868
6-fluoro-3-[1-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]pyrazol-4-yl]-1H-indole;6-fluoro-3-[1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrazol-4-yl]-1H-indole
CID 157351586
ethane;ethanone;2-methanidylpropane;2-methylbutane;1-methyl-3-(2-methylpropyl)indole;bis(5-methyl-1-(2-methylpropyl)indole);bis(2-methylpropylbenzene);3-(2-methylpropyl)-1H-indole;1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrazole;propan-2-ylcyclohexane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;1,1,1-trifluoro-3-methylbutane;yttrium
CID 157725653
1-Cyclopropyl-5-(4-propan-2-yl-2-pyridinyl)indazole;1-(difluoromethyl)-5-(4-propan-2-yl-2-pyridinyl)indazole;2-(difluoromethyl)-5-(4-propan-2-yl-2-pyridinyl)indazole;1-ethyl-5-(4-propan-2-yl-2-pyridinyl)indazole;2-ethyl-5-(4-propan-2-yl-2-pyridinyl)indazole;5-(4-propan-2-yl-2-pyridinyl)-1-(trifluoromethyl)indazole
CID 158334660
2,3-dimethylbutane;ethane;ethanone;1-fluoro-2-methylpropane;2-methanidylpropane;2-methylbutane;5-methyl-1-(2-methylpropyl)indole;2-methylpropylbenzene;bis(3-(2-methylpropyl)-1H-indole);4-(2-methylpropyl)morpholine;1-(2-methylpropyl)pyrazole;4-(2-methylpropyl)pyridine;propan-2-ylcyclohexane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;1,1,1-trifluoro-3-methylbutane;yttrium
CID 159840468
1-(3-methoxypropyl)-3-methyl-6-propan-2-ylindazole;1-(3-methoxypropyl)-3-methyl-6-propan-2-ylindole;3-(3-methoxypropyl)-1-methyl-5-propan-2-ylindole;1-(3-methoxypropyl)-6-propan-2-ylindazole;1-(3-methoxypropyl)-6-propan-2-ylindole;3-(3-methoxypropyl)-5-propan-2-yl-1H-indole;1-(3-methoxypropyl)-6-propan-2-yl-3-(trifluoromethyl)indole
CID 161640893
5-[5-(1-cyclohexylethenylamino)-3-pyridinyl]-N-[3-[3-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-1H-indol-4-yl]-5-fluorophenyl]propyl]-3-[4-[3-[3-(dimethylamino)propyl]-5-fluorophenyl]-6,7-dihydro-1H-indol-2-yl]-N-methylindazol-1-amine
CID 145247991
2-[4-[[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]methyl]piperidin-1-yl]ethanol;1,1,1-trifluoro-3-[4-[[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]methyl]piperidin-1-yl]propan-2-ol
CID 160089498
2-[4-[[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]methyl]piperidin-1-yl]acetic acid;1,1,1-trifluoro-3-[4-[[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]methyl]piperidin-1-yl]propan-2-ol
CID 161548956

Frequently Asked Questions

What is the IUPAC name of ethane;ethanone;1-fluoro-2-methylpropane;2-methanidylpropane;1-methyl-3-(2-methylpropyl)indole;bis(5-methyl-1-(2-methylpropyl)indole);2-methylpropylbenzene;3-(2-methylpropyl)-1H-indole;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)pyrazole;4-(2-methylpropyl)pyridine;propan-2-ylcyclohexane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;1,1,1-trifluoro-3-methylbutane;yttrium?
The IUPAC name of ethane;ethanone;1-fluoro-2-methylpropane;2-methanidylpropane;1-methyl-3-(2-methylpropyl)indole;bis(5-methyl-1-(2-methylpropyl)indole);2-methylpropylbenzene;3-(2-methylpropyl)-1H-indole;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)pyrazole;4-(2-methylpropyl)pyridine;propan-2-ylcyclohexane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;1,1,1-trifluoro-3-methylbutane;yttrium (CID 158962932) is ethane;ethanone;1-fluoro-2-methylpropane;2-methanidylpropane;1-methyl-3-(2-methylpropyl)indole;bis(5-methyl-1-(2-methylpropyl)indole);2-methylpropylbenzene;3-(2-methylpropyl)-1H-indole;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)pyrazole;4-(2-methylpropyl)pyridine;propan-2-ylcyclohexane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;1,1,1-trifluoro-3-methylbutane;yttrium.
What is the SMILES notation for ethane;ethanone;1-fluoro-2-methylpropane;2-methanidylpropane;1-methyl-3-(2-methylpropyl)indole;bis(5-methyl-1-(2-methylpropyl)indole);2-methylpropylbenzene;3-(2-methylpropyl)-1H-indole;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)pyrazole;4-(2-methylpropyl)pyridine;propan-2-ylcyclohexane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;1,1,1-trifluoro-3-methylbutane;yttrium?
The canonical SMILES for ethane;ethanone;1-fluoro-2-methylpropane;2-methanidylpropane;1-methyl-3-(2-methylpropyl)indole;bis(5-methyl-1-(2-methylpropyl)indole);2-methylpropylbenzene;3-(2-methylpropyl)-1H-indole;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)pyrazole;4-(2-methylpropyl)pyridine;propan-2-ylcyclohexane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;1,1,1-trifluoro-3-methylbutane;yttrium is CC.CC(C)C1CC1.CC(C)C1CCCC1.CC(C)C1CCCCC1.CC(C)CC(F)(F)F.CC(C)CF.CC(C)CN1CCOCC1.CC(C)Cc1c[nH]c2ccccc12.CC(C)Cc1ccccc1.CC(C)Cc1ccncc1.CC(C)Cc1cn(C)c2ccccc12.CC(C)Cn1cccn1.C[C-]=O.Cc1ccc2c(ccn2CC(C)C)c1.Cc1ccc2c(ccn2CC(C)C)c1.[CH2-]C(C)C.[Y].
What is the InChIKey of ethane;ethanone;1-fluoro-2-methylpropane;2-methanidylpropane;1-methyl-3-(2-methylpropyl)indole;bis(5-methyl-1-(2-methylpropyl)indole);2-methylpropylbenzene;3-(2-methylpropyl)-1H-indole;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)pyrazole;4-(2-methylpropyl)pyridine;propan-2-ylcyclohexane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;1,1,1-trifluoro-3-methylbutane;yttrium?
The InChIKey is ZNLIETSJOKAKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/3C13H17N.C12H15N.C10H14.C9H13N.C9H18.C8H17NO.C8H16.C7H12N2.C6H12.C5H9F3.C4H9F.C4H9.C2H3O.C2H6.Y/c2*1-10(2)9-14-7-6-12-8-11(3)4-5-13(12)14;1-10(2)8-11-9-14(3)13-7-5-4-6-12(11)13;1-9(2)7-10-8-13-12-6-4-3-5-11(10)12;1-9(2)8-10-6-4-3-5-7-10;1-8(2)7-9-3-5-10-6-4-9;1-8(2)9-6-4-3-5-7-9;1-8(2)7-9-3-5-10-6-4-9;1-7(2)8-5-3-4-6-8;1-7(2)6-9-5-3-4-8-9;1-5(2)6-3-4-6;1-4(2)3-5(6,7)8;1-4(2)3-5;1-4(2)3;1-2-3;1-2;/h2*4-8,10H,9H2,1-3H3;4-7,9-10H,8H2,1-3H3;3-6,8-9,13H,7H2,1-2H3;3-7,9H,8H2,1-2H3;3-6,8H,7H2,1-2H3;8-9H,3-7H2,1-2H3;8H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;3-5,7H,6H2,1-2H3;5-6H,3-4H2,1-2H3;4H,3H2,1-2H3;4H,3H2,1-2H3;4H,1H2,2-3H3;1H3;1-2H3;/q;;;;;;;;;;;;;2*-1;;.
What are the key properties of ethane;ethanone;1-fluoro-2-methylpropane;2-methanidylpropane;1-methyl-3-(2-methylpropyl)indole;bis(5-methyl-1-(2-methylpropyl)indole);2-methylpropylbenzene;3-(2-methylpropyl)-1H-indole;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)pyrazole;4-(2-methylpropyl)pyridine;propan-2-ylcyclohexane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;1,1,1-trifluoro-3-methylbutane;yttrium?
ethane;ethanone;1-fluoro-2-methylpropane;2-methanidylpropane;1-methyl-3-(2-methylpropyl)indole;bis(5-methyl-1-(2-methylpropyl)indole);2-methylpropylbenzene;3-(2-methylpropyl)-1H-indole;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)pyrazole;4-(2-methylpropyl)pyridine;propan-2-ylcyclohexane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;1,1,1-trifluoro-3-methylbutane;yttrium has a molecular weight of 2015.96 g/mol, XLogP of 36.56, 21 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethanone;1-fluoro-2-methylpropane;2-methanidylpropane;1-methyl-3-(2-methylpropyl)indole;bis(5-methyl-1-(2-methylpropyl)indole);2-methylpropylbenzene;3-(2-methylpropyl)-1H-indole;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)pyrazole;4-(2-methylpropyl)pyridine;propan-2-ylcyclohexane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;1,1,1-trifluoro-3-methylbutane;yttrium is sourced from PubChem (CID 158962932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).