1-chloro-2-propan-2-ylbenzene;1-(difluoromethyl)-2-propan-2-ylbenzene;3,3-difluoro-1-propan-2-ylpyrrolidine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1-fluoro-2-propan-2-ylbenzene;3-fluoro-1-propan-2-ylpyrrolidine;1-methylsulfonyl-3-propan-2-ylbenzene;2-propan-2-ylbenzonitrile;(2R)-1-(3-propan-2-ylphenoxy)butan-2-ol;(2S)-1-(3-propan-2-ylphenoxy)butan-2-ol;(2R)-3-(2-propan-2-ylphenoxy)propane-1,2-diol;(2S)-3-(2-propan-2-ylphenoxy)propane-1,2-diol;1-propan-2-ylpyrrolidine;bis(1-propan-2-yl-2-(trifluoromethoxy)benzene);1-propan-2-yl-2-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-2-(trifluoromethyl)piperidine;1-propan-2-yl-3-(trifluoromethyl)piperidine

C186H273ClF24N8O14S — CID 157265479

IUPAC1-chloro-2-propan-2-ylbenzene;1-(difluoromethyl)-2-propan-2-ylbenzene;3,3-difluoro-1-propan-2-ylpyrrolidine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1-fluoro-2-propan-2-ylbenzene;3-fluoro-1-propan-2-ylpyrrolidine;1-methylsulfonyl-3-propan-2-ylbenzene;2-propan-2-ylbenzonitrile;(2R)-1-(3-propan-2-ylphenoxy)butan-2-ol;(2S)-1-(3-propan-2-ylphenoxy)butan-2-ol;(2R)-3-(2-propan-2-ylphenoxy)propane-1,2-diol;(2S)-3-(2-propan-2-ylphenoxy)propane-1,2-diol;1-propan-2-ylpyrrolidine;bis(1-propan-2-yl-2-(trifluoromethoxy)benzene);1-propan-2-yl-2-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-2-(trifluoromethyl)piperidine;1-propan-2-yl-3-(trifluoromethyl)piperidine
SMILESCC(C)N1CCC(F)(F)C1.CC(C)N1CCC(F)C1.CC(C)N1CCC(N(C)C)C1.CC(C)N1CCCC(C(F)(F)F)C1.CC(C)N1CCCC1.CC(C)N1CCCCC1C(F)(F)F.CC(C)c1cccc(C(F)(F)F)c1.CC(C)c1cccc(S(C)(=O)=O)c1.CC(C)c1ccccc1C#N.CC(C)c1ccccc1C(F)(F)F.CC(C)c1ccccc1C(F)F.CC(C)c1ccccc1Cl.CC(C)c1ccccc1F.CC(C)c1ccccc1OC(F)(F)F.CC(C)c1ccccc1OC(F)(F)F.CC(C)c1ccccc1OC[C@@H](O)CO.CC(C)c1ccccc1OC[C@H](O)CO.CC[C@@H](O)COc1cccc(C(C)C)c1.CC[C@H](O)COc1cccc(C(C)C)c1
InChIInChI=1S/2C13H20O2.2C12H18O3.2C10H11F3O.2C10H11F3.C10H12F2.C10H11N.C10H14O2S.C9H11Cl.2C9H16F3N.C9H11F.C9H20N2.C7H13F2N.C7H14FN.C7H15N/c2*1-4-12(14)9-15-13-7-5-6-11(8-13)10(2)3;2*1-9(2)11-5-3-4-6-12(11)15-8-10(14)7-13;2*1-7(2)8-5-3-4-6-9(8)14-10(11,12)13;1-7(2)8-4-3-5-9(6-8)10(11,12)13;1-7(2)8-5-3-4-6-9(8)10(11,12)13;1-7(2)8-5-3-4-6-9(8)10(11)12;1-8(2)10-6-4-3-5-9(10)7-11;1-8(2)9-5-4-6-10(7-9)13(3,11)12;1-7(2)8-5-3-4-6-9(8)10;1-7(2)13-5-3-4-8(6-13)9(10,11)12;1-7(2)13-6-4-3-5-8(13)9(10,11)12;1-7(2)8-5-3-4-6-9(8)10;1-8(2)11-6-5-9(7-11)10(3)4;1-6(2)10-4-3-7(8,9)5-10;1-6(2)9-4-3-7(8)5-9;1-7(2)8-5-3-4-6-8/h2*5-8,10,12,14H,4,9H2,1-3H3;2*3-6,9-10,13-14H,7-8H2,1-2H3;2*3-7H,1-2H3;2*3-7H,1-2H3;3-7,10H,1-2H3;3-6,8H,1-2H3;4-8H,1-3H3;3-7H,1-2H3;2*7-8H,3-6H2,1-2H3;3-7H,1-2H3;8-9H,5-7H2,1-4H3;6H,3-5H2,1-2H3;6-7H,3-5H2,1-2H3;7H,3-6H2,1-2H3/t2*12-;2*10-;;;;;;;;;;;;;;;/m1010.............../s1
InChIKeyAXYDIBVFZMOCIO-VDBMVZMESA-N
MW3368.74 g/mol
LogP50.31
Rot. Bonds40

About 1-chloro-2-propan-2-ylbenzene;1-(difluoromethyl)-2-propan-2-ylbenzene;3,3-difluoro-1-propan-2-ylpyrrolidine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1-fluoro-2-propan-2-ylbenzene;3-fluoro-1-propan-2-ylpyrrolidine;1-methylsulfonyl-3-propan-2-ylbenzene;2-propan-2-ylbenzonitrile;(2R)-1-(3-propan-2-ylphenoxy)butan-2-ol;(2S)-1-(3-propan-2-ylphenoxy)butan-2-ol;(2R)-3-(2-propan-2-ylphenoxy)propane-1,2-diol;(2S)-3-(2-propan-2-ylphenoxy)propane-1,2-diol;1-propan-2-ylpyrrolidine;bis(1-propan-2-yl-2-(trifluoromethoxy)benzene);1-propan-2-yl-2-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-2-(trifluoromethyl)piperidine;1-propan-2-yl-3-(trifluoromethyl)piperidine

1-chloro-2-propan-2-ylbenzene;1-(difluoromethyl)-2-propan-2-ylbenzene;3,3-difluoro-1-propan-2-ylpyrrolidine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1-fluoro-2-propan-2-ylbenzene;3-fluoro-1-propan-2-ylpyrrolidine;1-methylsulfonyl-3-propan-2-ylbenzene;2-propan-2-ylbenzonitrile;(2R)-1-(3-propan-2-ylphenoxy)butan-2-ol;(2S)-1-(3-propan-2-ylphenoxy)butan-2-ol;(2R)-3-(2-propan-2-ylphenoxy)propane-1,2-diol;(2S)-3-(2-propan-2-ylphenoxy)propane-1,2-diol;1-propan-2-ylpyrrolidine;bis(1-propan-2-yl-2-(trifluoromethoxy)benzene);1-propan-2-yl-2-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-2-(trifluoromethyl)piperidine;1-propan-2-yl-3-(trifluoromethyl)piperidine (PubChem CID 157265479) has the molecular formula C186H273ClF24N8O14S and a molecular weight of 3368.74 g/mol. Its IUPAC name is 1-chloro-2-propan-2-ylbenzene;1-(difluoromethyl)-2-propan-2-ylbenzene;3,3-difluoro-1-propan-2-ylpyrrolidine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1-fluoro-2-propan-2-ylbenzene;3-fluoro-1-propan-2-ylpyrrolidine;1-methylsulfonyl-3-propan-2-ylbenzene;2-propan-2-ylbenzonitrile;(2R)-1-(3-propan-2-ylphenoxy)butan-2-ol;(2S)-1-(3-propan-2-ylphenoxy)butan-2-ol;(2R)-3-(2-propan-2-ylphenoxy)propane-1,2-diol;(2S)-3-(2-propan-2-ylphenoxy)propane-1,2-diol;1-propan-2-ylpyrrolidine;bis(1-propan-2-yl-2-(trifluoromethoxy)benzene);1-propan-2-yl-2-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-2-(trifluoromethyl)piperidine;1-propan-2-yl-3-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-chloro-2-propan-2-ylbenzene;1-(difluoromethyl)-2-propan-2-ylbenzene;3,3-difluoro-1-propan-2-ylpyrrolidine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1-fluoro-2-propan-2-ylbenzene;3-fluoro-1-propan-2-ylpyrrolidine;1-methylsulfonyl-3-propan-2-ylbenzene;2-propan-2-ylbenzonitrile;(2R)-1-(3-propan-2-ylphenoxy)butan-2-ol;(2S)-1-(3-propan-2-ylphenoxy)butan-2-ol;(2R)-3-(2-propan-2-ylphenoxy)propane-1,2-diol;(2S)-3-(2-propan-2-ylphenoxy)propane-1,2-diol;1-propan-2-ylpyrrolidine;bis(1-propan-2-yl-2-(trifluoromethoxy)benzene);1-propan-2-yl-2-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-2-(trifluoromethyl)piperidine;1-propan-2-yl-3-(trifluoromethyl)piperidine
PubChem CID157265479
Molecular FormulaC186H273ClF24N8O14S
Molecular Weight3368.74 g/mol
Exact Mass3365.99
IUPAC Name1-chloro-2-propan-2-ylbenzene;1-(difluoromethyl)-2-propan-2-ylbenzene;3,3-difluoro-1-propan-2-ylpyrrolidine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1-fluoro-2-propan-2-ylbenzene;3-fluoro-1-propan-2-ylpyrrolidine;1-methylsulfonyl-3-propan-2-ylbenzene;2-propan-2-ylbenzonitrile;(2R)-1-(3-propan-2-ylphenoxy)butan-2-ol;(2S)-1-(3-propan-2-ylphenoxy)butan-2-ol;(2R)-3-(2-propan-2-ylphenoxy)propane-1,2-diol;(2S)-3-(2-propan-2-ylphenoxy)propane-1,2-diol;1-propan-2-ylpyrrolidine;bis(1-propan-2-yl-2-(trifluoromethoxy)benzene);1-propan-2-yl-2-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-2-(trifluoromethyl)piperidine;1-propan-2-yl-3-(trifluoromethyl)piperidine
SMILESCC(C)N1CCC(F)(F)C1.CC(C)N1CCC(F)C1.CC(C)N1CCC(N(C)C)C1.CC(C)N1CCCC(C(F)(F)F)C1.CC(C)N1CCCC1.CC(C)N1CCCCC1C(F)(F)F.CC(C)c1cccc(C(F)(F)F)c1.CC(C)c1cccc(S(C)(=O)=O)c1.CC(C)c1ccccc1C#N.CC(C)c1ccccc1C(F)(F)F.CC(C)c1ccccc1C(F)F.CC(C)c1ccccc1Cl.CC(C)c1ccccc1F.CC(C)c1ccccc1OC(F)(F)F.CC(C)c1ccccc1OC(F)(F)F.CC(C)c1ccccc1OC[C@@H](O)CO.CC(C)c1ccccc1OC[C@H](O)CO.CC[C@@H](O)COc1cccc(C(C)C)c1.CC[C@H](O)COc1cccc(C(C)C)c1
InChIInChI=1S/2C13H20O2.2C12H18O3.2C10H11F3O.2C10H11F3.C10H12F2.C10H11N.C10H14O2S.C9H11Cl.2C9H16F3N.C9H11F.C9H20N2.C7H13F2N.C7H14FN.C7H15N/c2*1-4-12(14)9-15-13-7-5-6-11(8-13)10(2)3;2*1-9(2)11-5-3-4-6-12(11)15-8-10(14)7-13;2*1-7(2)8-5-3-4-6-9(8)14-10(11,12)13;1-7(2)8-4-3-5-9(6-8)10(11,12)13;1-7(2)8-5-3-4-6-9(8)10(11,12)13;1-7(2)8-5-3-4-6-9(8)10(11)12;1-8(2)10-6-4-3-5-9(10)7-11;1-8(2)9-5-4-6-10(7-9)13(3,11)12;1-7(2)8-5-3-4-6-9(8)10;1-7(2)13-5-3-4-8(6-13)9(10,11)12;1-7(2)13-6-4-3-5-8(13)9(10,11)12;1-7(2)8-5-3-4-6-9(8)10;1-8(2)11-6-5-9(7-11)10(3)4;1-6(2)10-4-3-7(8,9)5-10;1-6(2)9-4-3-7(8)5-9;1-7(2)8-5-3-4-6-8/h2*5-8,10,12,14H,4,9H2,1-3H3;2*3-6,9-10,13-14H,7-8H2,1-2H3;2*3-7H,1-2H3;2*3-7H,1-2H3;3-7,10H,1-2H3;3-6,8H,1-2H3;4-8H,1-3H3;3-7H,1-2H3;2*7-8H,3-6H2,1-2H3;3-7H,1-2H3;8-9H,5-7H2,1-4H3;6H,3-5H2,1-2H3;6-7H,3-5H2,1-2H3;7H,3-6H2,1-2H3/t2*12-;2*10-;;;;;;;;;;;;;;;/m1010.............../s1
InChIKeyAXYDIBVFZMOCIO-VDBMVZMESA-N
XLogP50.31
TPSA257.37 Ų
H-Bond Donors6
H-Bond Acceptors22
Rotatable Bonds40
Heavy Atoms234
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003368.74
LogP ≤ 550.31
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1022

Analyze 1-chloro-2-propan-2-ylbenzene;1-(difluoromethyl)-2-propan-2-ylbenzene;3,3-difluoro-1-propan-2-ylpyrrolidine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1-fluoro-2-propan-2-ylbenzene;3-fluoro-1-propan-2-ylpyrrolidine;1-methylsulfonyl-3-propan-2-ylbenzene;2-propan-2-ylbenzonitrile;(2R)-1-(3-propan-2-ylphenoxy)butan-2-ol;(2S)-1-(3-propan-2-ylphenoxy)butan-2-ol;(2R)-3-(2-propan-2-ylphenoxy)propane-1,2-diol;(2S)-3-(2-propan-2-ylphenoxy)propane-1,2-diol;1-propan-2-ylpyrrolidine;bis(1-propan-2-yl-2-(trifluoromethoxy)benzene);1-propan-2-yl-2-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-2-(trifluoromethyl)piperidine;1-propan-2-yl-3-(trifluoromethyl)piperidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-propan-2-ylbenzene;1-(difluoromethyl)-2-propan-2-ylbenzene;3,3-difluoro-1-propan-2-ylpyrrolidine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1-fluoro-2-propan-2-ylbenzene;3-fluoro-1-propan-2-ylpyrrolidine;1-methylsulfonyl-3-propan-2-ylbenzene;2-propan-2-ylbenzonitrile;(2R)-1-(3-propan-2-ylphenoxy)butan-2-ol;(2S)-1-(3-propan-2-ylphenoxy)butan-2-ol;(2R)-3-(2-propan-2-ylphenoxy)propane-1,2-diol;(2S)-3-(2-propan-2-ylphenoxy)propane-1,2-diol;1-propan-2-ylpyrrolidine;bis(1-propan-2-yl-2-(trifluoromethoxy)benzene);1-propan-2-yl-2-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-2-(trifluoromethyl)piperidine;1-propan-2-yl-3-(trifluoromethyl)piperidine?
The IUPAC name of 1-chloro-2-propan-2-ylbenzene;1-(difluoromethyl)-2-propan-2-ylbenzene;3,3-difluoro-1-propan-2-ylpyrrolidine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1-fluoro-2-propan-2-ylbenzene;3-fluoro-1-propan-2-ylpyrrolidine;1-methylsulfonyl-3-propan-2-ylbenzene;2-propan-2-ylbenzonitrile;(2R)-1-(3-propan-2-ylphenoxy)butan-2-ol;(2S)-1-(3-propan-2-ylphenoxy)butan-2-ol;(2R)-3-(2-propan-2-ylphenoxy)propane-1,2-diol;(2S)-3-(2-propan-2-ylphenoxy)propane-1,2-diol;1-propan-2-ylpyrrolidine;bis(1-propan-2-yl-2-(trifluoromethoxy)benzene);1-propan-2-yl-2-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-2-(trifluoromethyl)piperidine;1-propan-2-yl-3-(trifluoromethyl)piperidine (CID 157265479) is 1-chloro-2-propan-2-ylbenzene;1-(difluoromethyl)-2-propan-2-ylbenzene;3,3-difluoro-1-propan-2-ylpyrrolidine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1-fluoro-2-propan-2-ylbenzene;3-fluoro-1-propan-2-ylpyrrolidine;1-methylsulfonyl-3-propan-2-ylbenzene;2-propan-2-ylbenzonitrile;(2R)-1-(3-propan-2-ylphenoxy)butan-2-ol;(2S)-1-(3-propan-2-ylphenoxy)butan-2-ol;(2R)-3-(2-propan-2-ylphenoxy)propane-1,2-diol;(2S)-3-(2-propan-2-ylphenoxy)propane-1,2-diol;1-propan-2-ylpyrrolidine;bis(1-propan-2-yl-2-(trifluoromethoxy)benzene);1-propan-2-yl-2-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-2-(trifluoromethyl)piperidine;1-propan-2-yl-3-(trifluoromethyl)piperidine.
What is the SMILES notation for 1-chloro-2-propan-2-ylbenzene;1-(difluoromethyl)-2-propan-2-ylbenzene;3,3-difluoro-1-propan-2-ylpyrrolidine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1-fluoro-2-propan-2-ylbenzene;3-fluoro-1-propan-2-ylpyrrolidine;1-methylsulfonyl-3-propan-2-ylbenzene;2-propan-2-ylbenzonitrile;(2R)-1-(3-propan-2-ylphenoxy)butan-2-ol;(2S)-1-(3-propan-2-ylphenoxy)butan-2-ol;(2R)-3-(2-propan-2-ylphenoxy)propane-1,2-diol;(2S)-3-(2-propan-2-ylphenoxy)propane-1,2-diol;1-propan-2-ylpyrrolidine;bis(1-propan-2-yl-2-(trifluoromethoxy)benzene);1-propan-2-yl-2-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-2-(trifluoromethyl)piperidine;1-propan-2-yl-3-(trifluoromethyl)piperidine?
The canonical SMILES for 1-chloro-2-propan-2-ylbenzene;1-(difluoromethyl)-2-propan-2-ylbenzene;3,3-difluoro-1-propan-2-ylpyrrolidine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1-fluoro-2-propan-2-ylbenzene;3-fluoro-1-propan-2-ylpyrrolidine;1-methylsulfonyl-3-propan-2-ylbenzene;2-propan-2-ylbenzonitrile;(2R)-1-(3-propan-2-ylphenoxy)butan-2-ol;(2S)-1-(3-propan-2-ylphenoxy)butan-2-ol;(2R)-3-(2-propan-2-ylphenoxy)propane-1,2-diol;(2S)-3-(2-propan-2-ylphenoxy)propane-1,2-diol;1-propan-2-ylpyrrolidine;bis(1-propan-2-yl-2-(trifluoromethoxy)benzene);1-propan-2-yl-2-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-2-(trifluoromethyl)piperidine;1-propan-2-yl-3-(trifluoromethyl)piperidine is CC(C)N1CCC(F)(F)C1.CC(C)N1CCC(F)C1.CC(C)N1CCC(N(C)C)C1.CC(C)N1CCCC(C(F)(F)F)C1.CC(C)N1CCCC1.CC(C)N1CCCCC1C(F)(F)F.CC(C)c1cccc(C(F)(F)F)c1.CC(C)c1cccc(S(C)(=O)=O)c1.CC(C)c1ccccc1C#N.CC(C)c1ccccc1C(F)(F)F.CC(C)c1ccccc1C(F)F.CC(C)c1ccccc1Cl.CC(C)c1ccccc1F.CC(C)c1ccccc1OC(F)(F)F.CC(C)c1ccccc1OC(F)(F)F.CC(C)c1ccccc1OC[C@@H](O)CO.CC(C)c1ccccc1OC[C@H](O)CO.CC[C@@H](O)COc1cccc(C(C)C)c1.CC[C@H](O)COc1cccc(C(C)C)c1.
What is the InChIKey of 1-chloro-2-propan-2-ylbenzene;1-(difluoromethyl)-2-propan-2-ylbenzene;3,3-difluoro-1-propan-2-ylpyrrolidine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1-fluoro-2-propan-2-ylbenzene;3-fluoro-1-propan-2-ylpyrrolidine;1-methylsulfonyl-3-propan-2-ylbenzene;2-propan-2-ylbenzonitrile;(2R)-1-(3-propan-2-ylphenoxy)butan-2-ol;(2S)-1-(3-propan-2-ylphenoxy)butan-2-ol;(2R)-3-(2-propan-2-ylphenoxy)propane-1,2-diol;(2S)-3-(2-propan-2-ylphenoxy)propane-1,2-diol;1-propan-2-ylpyrrolidine;bis(1-propan-2-yl-2-(trifluoromethoxy)benzene);1-propan-2-yl-2-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-2-(trifluoromethyl)piperidine;1-propan-2-yl-3-(trifluoromethyl)piperidine?
The InChIKey is AXYDIBVFZMOCIO-VDBMVZMESA-N. The full InChI is InChI=1S/2C13H20O2.2C12H18O3.2C10H11F3O.2C10H11F3.C10H12F2.C10H11N.C10H14O2S.C9H11Cl.2C9H16F3N.C9H11F.C9H20N2.C7H13F2N.C7H14FN.C7H15N/c2*1-4-12(14)9-15-13-7-5-6-11(8-13)10(2)3;2*1-9(2)11-5-3-4-6-12(11)15-8-10(14)7-13;2*1-7(2)8-5-3-4-6-9(8)14-10(11,12)13;1-7(2)8-4-3-5-9(6-8)10(11,12)13;1-7(2)8-5-3-4-6-9(8)10(11,12)13;1-7(2)8-5-3-4-6-9(8)10(11)12;1-8(2)10-6-4-3-5-9(10)7-11;1-8(2)9-5-4-6-10(7-9)13(3,11)12;1-7(2)8-5-3-4-6-9(8)10;1-7(2)13-5-3-4-8(6-13)9(10,11)12;1-7(2)13-6-4-3-5-8(13)9(10,11)12;1-7(2)8-5-3-4-6-9(8)10;1-8(2)11-6-5-9(7-11)10(3)4;1-6(2)10-4-3-7(8,9)5-10;1-6(2)9-4-3-7(8)5-9;1-7(2)8-5-3-4-6-8/h2*5-8,10,12,14H,4,9H2,1-3H3;2*3-6,9-10,13-14H,7-8H2,1-2H3;2*3-7H,1-2H3;2*3-7H,1-2H3;3-7,10H,1-2H3;3-6,8H,1-2H3;4-8H,1-3H3;3-7H,1-2H3;2*7-8H,3-6H2,1-2H3;3-7H,1-2H3;8-9H,5-7H2,1-4H3;6H,3-5H2,1-2H3;6-7H,3-5H2,1-2H3;7H,3-6H2,1-2H3/t2*12-;2*10-;;;;;;;;;;;;;;;/m1010.............../s1.
What are the key properties of 1-chloro-2-propan-2-ylbenzene;1-(difluoromethyl)-2-propan-2-ylbenzene;3,3-difluoro-1-propan-2-ylpyrrolidine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1-fluoro-2-propan-2-ylbenzene;3-fluoro-1-propan-2-ylpyrrolidine;1-methylsulfonyl-3-propan-2-ylbenzene;2-propan-2-ylbenzonitrile;(2R)-1-(3-propan-2-ylphenoxy)butan-2-ol;(2S)-1-(3-propan-2-ylphenoxy)butan-2-ol;(2R)-3-(2-propan-2-ylphenoxy)propane-1,2-diol;(2S)-3-(2-propan-2-ylphenoxy)propane-1,2-diol;1-propan-2-ylpyrrolidine;bis(1-propan-2-yl-2-(trifluoromethoxy)benzene);1-propan-2-yl-2-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-2-(trifluoromethyl)piperidine;1-propan-2-yl-3-(trifluoromethyl)piperidine?
1-chloro-2-propan-2-ylbenzene;1-(difluoromethyl)-2-propan-2-ylbenzene;3,3-difluoro-1-propan-2-ylpyrrolidine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1-fluoro-2-propan-2-ylbenzene;3-fluoro-1-propan-2-ylpyrrolidine;1-methylsulfonyl-3-propan-2-ylbenzene;2-propan-2-ylbenzonitrile;(2R)-1-(3-propan-2-ylphenoxy)butan-2-ol;(2S)-1-(3-propan-2-ylphenoxy)butan-2-ol;(2R)-3-(2-propan-2-ylphenoxy)propane-1,2-diol;(2S)-3-(2-propan-2-ylphenoxy)propane-1,2-diol;1-propan-2-ylpyrrolidine;bis(1-propan-2-yl-2-(trifluoromethoxy)benzene);1-propan-2-yl-2-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-2-(trifluoromethyl)piperidine;1-propan-2-yl-3-(trifluoromethyl)piperidine has a molecular weight of 3368.74 g/mol, XLogP of 50.31, 40 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-propan-2-ylbenzene;1-(difluoromethyl)-2-propan-2-ylbenzene;3,3-difluoro-1-propan-2-ylpyrrolidine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1-fluoro-2-propan-2-ylbenzene;3-fluoro-1-propan-2-ylpyrrolidine;1-methylsulfonyl-3-propan-2-ylbenzene;2-propan-2-ylbenzonitrile;(2R)-1-(3-propan-2-ylphenoxy)butan-2-ol;(2S)-1-(3-propan-2-ylphenoxy)butan-2-ol;(2R)-3-(2-propan-2-ylphenoxy)propane-1,2-diol;(2S)-3-(2-propan-2-ylphenoxy)propane-1,2-diol;1-propan-2-ylpyrrolidine;bis(1-propan-2-yl-2-(trifluoromethoxy)benzene);1-propan-2-yl-2-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-2-(trifluoromethyl)piperidine;1-propan-2-yl-3-(trifluoromethyl)piperidine is sourced from PubChem (CID 157265479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).