1,1-difluoro-3-methylbutane;bis(2,3-dimethylbutan-2-ol);tris(N,N-dimethyl-1-propan-2-ylcyclopropan-1-amine);tris(3-fluoro-1-(2-methylpropyl)azetidine);tris(2-methoxy-2,3-dimethylbutane);1-methoxy-3-methylbutane;(2S)-3-methylbutan-2-ol;(2R)-3-methylbutan-2-ol;3-methylbutan-1-ol;3-methylbutan-2-ol;hexakis(3-methylbutylcyclopropane);bis(2-methylpropan-1-ol);1-methyl-2-propan-2-ylpyrrolidine;(2S)-1-methyl-2-propan-2-ylpyrrolidine;(2R)-1-methyl-2-propan-2-ylpyrrolidine;tris(1-(2-methylpropyl)azetidine);4-(2-methylpropyl)morpholine;propan-2-ylcyclobutane;propan-2-ylcyclopropane;4-propan-2-yloxane;3-propan-2-yloxolane;(3S)-3-propan-2-yloxolane;(3R)-3-propan-2-yloxolane;1,1,1-trifluoro-3-methylbutane;tris(N,N,2-trimethylpropan-1-amine)

C283H608F8N16O17 — CID 162004757

IUPAC1,1-difluoro-3-methylbutane;bis(2,3-dimethylbutan-2-ol);tris(N,N-dimethyl-1-propan-2-ylcyclopropan-1-amine);tris(3-fluoro-1-(2-methylpropyl)azetidine);tris(2-methoxy-2,3-dimethylbutane);1-methoxy-3-methylbutane;(2S)-3-methylbutan-2-ol;(2R)-3-methylbutan-2-ol;3-methylbutan-1-ol;3-methylbutan-2-ol;hexakis(3-methylbutylcyclopropane);bis(2-methylpropan-1-ol);1-methyl-2-propan-2-ylpyrrolidine;(2S)-1-methyl-2-propan-2-ylpyrrolidine;(2R)-1-methyl-2-propan-2-ylpyrrolidine;tris(1-(2-methylpropyl)azetidine);4-(2-methylpropyl)morpholine;propan-2-ylcyclobutane;propan-2-ylcyclopropane;4-propan-2-yloxane;3-propan-2-yloxolane;(3S)-3-propan-2-yloxolane;(3R)-3-propan-2-yloxolane;1,1,1-trifluoro-3-methylbutane;tris(N,N,2-trimethylpropan-1-amine)
SMILESCC(C)C(C)(C)O.CC(C)C(C)(C)O.CC(C)C(C)O.CC(C)C1(N(C)C)CC1.CC(C)C1(N(C)C)CC1.CC(C)C1(N(C)C)CC1.CC(C)C1CC1.CC(C)C1CCC1.CC(C)C1CCCN1C.CC(C)C1CCOC1.CC(C)C1CCOCC1.CC(C)CC(F)(F)F.CC(C)CC(F)F.CC(C)CCC1CC1.CC(C)CCC1CC1.CC(C)CCC1CC1.CC(C)CCC1CC1.CC(C)CCC1CC1.CC(C)CCC1CC1.CC(C)CCO.CC(C)CN(C)C.CC(C)CN(C)C.CC(C)CN(C)C.CC(C)CN1CC(F)C1.CC(C)CN1CC(F)C1.CC(C)CN1CC(F)C1.CC(C)CN1CCC1.CC(C)CN1CCC1.CC(C)CN1CCC1.CC(C)CN1CCOCC1.CC(C)CO.CC(C)CO.CC(C)[C@@H](C)O.CC(C)[C@@H]1CCCN1C.CC(C)[C@@H]1CCOC1.CC(C)[C@H](C)O.CC(C)[C@H]1CCCN1C.CC(C)[C@H]1CCOC1.COC(C)(C)C(C)C.COC(C)(C)C(C)C.COC(C)(C)C(C)C.COCCC(C)C
InChIInChI=1S/C8H17NO.6C8H17N.C8H16O.6C8H16.3C7H14FN.3C7H15N.3C7H14O.3C7H16O.C7H14.3C6H15N.3C6H14O.C6H12.C5H9F3.C5H10F2.4C5H12O.2C4H10O/c1-8(2)7-9-3-5-10-6-4-9;3*1-7(2)8(5-6-8)9(3)4;3*1-7(2)8-5-4-6-9(8)3;1-7(2)8-3-5-9-6-4-8;6*1-7(2)3-4-8-5-6-8;3*1-6(2)3-9-4-7(8)5-9;3*1-7(2)6-8-4-3-5-8;3*1-6(2)7-3-4-8-5-7;3*1-6(2)7(3,4)8-5;1-6(2)7-4-3-5-7;3*1-6(2)5-7(3)4;1-6(2)4-5-7-3;2*1-5(2)6(3,4)7;1-5(2)6-3-4-6;1-4(2)3-5(6,7)8;1-4(2)3-5(6)7;1-5(2)3-4-6;3*1-4(2)5(3)6;2*1-4(2)3-5/h8H,3-7H2,1-2H3;3*7H,5-6H2,1-4H3;3*7-8H,4-6H2,1-3H3;7-8H,3-6H2,1-2H3;6*7-8H,3-6H2,1-2H3;3*6-7H,3-5H2,1-2H3;3*7H,3-6H2,1-2H3;3*6-7H,3-5H2,1-2H3;3*6H,1-5H3;6-7H,3-5H2,1-2H3;3*6H,5H2,1-4H3;6H,4-5H2,1-3H3;2*5,7H,1-4H3;5-6H,3-4H2,1-2H3;4H,3H2,1-2H3;4-5H,3H2,1-2H3;5-6H,3-4H2,1-2H3;3*4-6H,1-3H3;2*4-5H,3H2,1-2H3/t;;;;2*8-;;;;;;;;;;;;;;;2*7-;;;;;;;;;;;;;;;;2*5-;;;/m....10..............10...............10.../s1
InChIKeyYSRLDECSCSESRF-NXPGBWOBSA-N
MW4660.06 g/mol
LogP72.50
Rot. Bonds74

About 1,1-difluoro-3-methylbutane;bis(2,3-dimethylbutan-2-ol);tris(N,N-dimethyl-1-propan-2-ylcyclopropan-1-amine);tris(3-fluoro-1-(2-methylpropyl)azetidine);tris(2-methoxy-2,3-dimethylbutane);1-methoxy-3-methylbutane;(2S)-3-methylbutan-2-ol;(2R)-3-methylbutan-2-ol;3-methylbutan-1-ol;3-methylbutan-2-ol;hexakis(3-methylbutylcyclopropane);bis(2-methylpropan-1-ol);1-methyl-2-propan-2-ylpyrrolidine;(2S)-1-methyl-2-propan-2-ylpyrrolidine;(2R)-1-methyl-2-propan-2-ylpyrrolidine;tris(1-(2-methylpropyl)azetidine);4-(2-methylpropyl)morpholine;propan-2-ylcyclobutane;propan-2-ylcyclopropane;4-propan-2-yloxane;3-propan-2-yloxolane;(3S)-3-propan-2-yloxolane;(3R)-3-propan-2-yloxolane;1,1,1-trifluoro-3-methylbutane;tris(N,N,2-trimethylpropan-1-amine)

1,1-difluoro-3-methylbutane;bis(2,3-dimethylbutan-2-ol);tris(N,N-dimethyl-1-propan-2-ylcyclopropan-1-amine);tris(3-fluoro-1-(2-methylpropyl)azetidine);tris(2-methoxy-2,3-dimethylbutane);1-methoxy-3-methylbutane;(2S)-3-methylbutan-2-ol;(2R)-3-methylbutan-2-ol;3-methylbutan-1-ol;3-methylbutan-2-ol;hexakis(3-methylbutylcyclopropane);bis(2-methylpropan-1-ol);1-methyl-2-propan-2-ylpyrrolidine;(2S)-1-methyl-2-propan-2-ylpyrrolidine;(2R)-1-methyl-2-propan-2-ylpyrrolidine;tris(1-(2-methylpropyl)azetidine);4-(2-methylpropyl)morpholine;propan-2-ylcyclobutane;propan-2-ylcyclopropane;4-propan-2-yloxane;3-propan-2-yloxolane;(3S)-3-propan-2-yloxolane;(3R)-3-propan-2-yloxolane;1,1,1-trifluoro-3-methylbutane;tris(N,N,2-trimethylpropan-1-amine) (PubChem CID 162004757) has the molecular formula C283H608F8N16O17 and a molecular weight of 4660.06 g/mol. Its IUPAC name is 1,1-difluoro-3-methylbutane;bis(2,3-dimethylbutan-2-ol);tris(N,N-dimethyl-1-propan-2-ylcyclopropan-1-amine);tris(3-fluoro-1-(2-methylpropyl)azetidine);tris(2-methoxy-2,3-dimethylbutane);1-methoxy-3-methylbutane;(2S)-3-methylbutan-2-ol;(2R)-3-methylbutan-2-ol;3-methylbutan-1-ol;3-methylbutan-2-ol;hexakis(3-methylbutylcyclopropane);bis(2-methylpropan-1-ol);1-methyl-2-propan-2-ylpyrrolidine;(2S)-1-methyl-2-propan-2-ylpyrrolidine;(2R)-1-methyl-2-propan-2-ylpyrrolidine;tris(1-(2-methylpropyl)azetidine);4-(2-methylpropyl)morpholine;propan-2-ylcyclobutane;propan-2-ylcyclopropane;4-propan-2-yloxane;3-propan-2-yloxolane;(3S)-3-propan-2-yloxolane;(3R)-3-propan-2-yloxolane;1,1,1-trifluoro-3-methylbutane;tris(N,N,2-trimethylpropan-1-amine).

Molecular Properties

Compound Name1,1-difluoro-3-methylbutane;bis(2,3-dimethylbutan-2-ol);tris(N,N-dimethyl-1-propan-2-ylcyclopropan-1-amine);tris(3-fluoro-1-(2-methylpropyl)azetidine);tris(2-methoxy-2,3-dimethylbutane);1-methoxy-3-methylbutane;(2S)-3-methylbutan-2-ol;(2R)-3-methylbutan-2-ol;3-methylbutan-1-ol;3-methylbutan-2-ol;hexakis(3-methylbutylcyclopropane);bis(2-methylpropan-1-ol);1-methyl-2-propan-2-ylpyrrolidine;(2S)-1-methyl-2-propan-2-ylpyrrolidine;(2R)-1-methyl-2-propan-2-ylpyrrolidine;tris(1-(2-methylpropyl)azetidine);4-(2-methylpropyl)morpholine;propan-2-ylcyclobutane;propan-2-ylcyclopropane;4-propan-2-yloxane;3-propan-2-yloxolane;(3S)-3-propan-2-yloxolane;(3R)-3-propan-2-yloxolane;1,1,1-trifluoro-3-methylbutane;tris(N,N,2-trimethylpropan-1-amine)
PubChem CID162004757
Molecular FormulaC283H608F8N16O17
Molecular Weight4660.06 g/mol
Exact Mass4656.71
IUPAC Name1,1-difluoro-3-methylbutane;bis(2,3-dimethylbutan-2-ol);tris(N,N-dimethyl-1-propan-2-ylcyclopropan-1-amine);tris(3-fluoro-1-(2-methylpropyl)azetidine);tris(2-methoxy-2,3-dimethylbutane);1-methoxy-3-methylbutane;(2S)-3-methylbutan-2-ol;(2R)-3-methylbutan-2-ol;3-methylbutan-1-ol;3-methylbutan-2-ol;hexakis(3-methylbutylcyclopropane);bis(2-methylpropan-1-ol);1-methyl-2-propan-2-ylpyrrolidine;(2S)-1-methyl-2-propan-2-ylpyrrolidine;(2R)-1-methyl-2-propan-2-ylpyrrolidine;tris(1-(2-methylpropyl)azetidine);4-(2-methylpropyl)morpholine;propan-2-ylcyclobutane;propan-2-ylcyclopropane;4-propan-2-yloxane;3-propan-2-yloxolane;(3S)-3-propan-2-yloxolane;(3R)-3-propan-2-yloxolane;1,1,1-trifluoro-3-methylbutane;tris(N,N,2-trimethylpropan-1-amine)
SMILESCC(C)C(C)(C)O.CC(C)C(C)(C)O.CC(C)C(C)O.CC(C)C1(N(C)C)CC1.CC(C)C1(N(C)C)CC1.CC(C)C1(N(C)C)CC1.CC(C)C1CC1.CC(C)C1CCC1.CC(C)C1CCCN1C.CC(C)C1CCOC1.CC(C)C1CCOCC1.CC(C)CC(F)(F)F.CC(C)CC(F)F.CC(C)CCC1CC1.CC(C)CCC1CC1.CC(C)CCC1CC1.CC(C)CCC1CC1.CC(C)CCC1CC1.CC(C)CCC1CC1.CC(C)CCO.CC(C)CN(C)C.CC(C)CN(C)C.CC(C)CN(C)C.CC(C)CN1CC(F)C1.CC(C)CN1CC(F)C1.CC(C)CN1CC(F)C1.CC(C)CN1CCC1.CC(C)CN1CCC1.CC(C)CN1CCC1.CC(C)CN1CCOCC1.CC(C)CO.CC(C)CO.CC(C)[C@@H](C)O.CC(C)[C@@H]1CCCN1C.CC(C)[C@@H]1CCOC1.CC(C)[C@H](C)O.CC(C)[C@H]1CCCN1C.CC(C)[C@H]1CCOC1.COC(C)(C)C(C)C.COC(C)(C)C(C)C.COC(C)(C)C(C)C.COCCC(C)C
InChIInChI=1S/C8H17NO.6C8H17N.C8H16O.6C8H16.3C7H14FN.3C7H15N.3C7H14O.3C7H16O.C7H14.3C6H15N.3C6H14O.C6H12.C5H9F3.C5H10F2.4C5H12O.2C4H10O/c1-8(2)7-9-3-5-10-6-4-9;3*1-7(2)8(5-6-8)9(3)4;3*1-7(2)8-5-4-6-9(8)3;1-7(2)8-3-5-9-6-4-8;6*1-7(2)3-4-8-5-6-8;3*1-6(2)3-9-4-7(8)5-9;3*1-7(2)6-8-4-3-5-8;3*1-6(2)7-3-4-8-5-7;3*1-6(2)7(3,4)8-5;1-6(2)7-4-3-5-7;3*1-6(2)5-7(3)4;1-6(2)4-5-7-3;2*1-5(2)6(3,4)7;1-5(2)6-3-4-6;1-4(2)3-5(6,7)8;1-4(2)3-5(6)7;1-5(2)3-4-6;3*1-4(2)5(3)6;2*1-4(2)3-5/h8H,3-7H2,1-2H3;3*7H,5-6H2,1-4H3;3*7-8H,4-6H2,1-3H3;7-8H,3-6H2,1-2H3;6*7-8H,3-6H2,1-2H3;3*6-7H,3-5H2,1-2H3;3*7H,3-6H2,1-2H3;3*6-7H,3-5H2,1-2H3;3*6H,1-5H3;6-7H,3-5H2,1-2H3;3*6H,5H2,1-4H3;6H,4-5H2,1-3H3;2*5,7H,1-4H3;5-6H,3-4H2,1-2H3;4H,3H2,1-2H3;4-5H,3H2,1-2H3;5-6H,3-4H2,1-2H3;3*4-6H,1-3H3;2*4-5H,3H2,1-2H3/t;;;;2*8-;;;;;;;;;;;;;;;2*7-;;;;;;;;;;;;;;;;2*5-;;;/m....10..............10...............10.../s1
InChIKeyYSRLDECSCSESRF-NXPGBWOBSA-N
XLogP72.50
TPSA296.75 Ų
H-Bond Donors8
H-Bond Acceptors33
Rotatable Bonds74
Heavy Atoms324
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004660.06
LogP ≤ 572.50
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1033

Analyze 1,1-difluoro-3-methylbutane;bis(2,3-dimethylbutan-2-ol);tris(N,N-dimethyl-1-propan-2-ylcyclopropan-1-amine);tris(3-fluoro-1-(2-methylpropyl)azetidine);tris(2-methoxy-2,3-dimethylbutane);1-methoxy-3-methylbutane;(2S)-3-methylbutan-2-ol;(2R)-3-methylbutan-2-ol;3-methylbutan-1-ol;3-methylbutan-2-ol;hexakis(3-methylbutylcyclopropane);bis(2-methylpropan-1-ol);1-methyl-2-propan-2-ylpyrrolidine;(2S)-1-methyl-2-propan-2-ylpyrrolidine;(2R)-1-methyl-2-propan-2-ylpyrrolidine;tris(1-(2-methylpropyl)azetidine);4-(2-methylpropyl)morpholine;propan-2-ylcyclobutane;propan-2-ylcyclopropane;4-propan-2-yloxane;3-propan-2-yloxolane;(3S)-3-propan-2-yloxolane;(3R)-3-propan-2-yloxolane;1,1,1-trifluoro-3-methylbutane;tris(N,N,2-trimethylpropan-1-amine) with MolForge

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Launch Full Analysis

Related Compounds

1,1-difluoro-3-methylbutane;2,2-difluoro-4-methylpentane;bis(2,3-dimethylbutan-2-ol);tris(3-fluoro-1-(2-methylpropyl)azetidine);tris(2-methoxy-2,3-dimethylbutane);1-methoxy-3-methylbutane;3-methylbutan-1-ol;hexakis(3-methylbutylcyclopropane);1-methyl-2-propan-2-ylpyrrolidine;(2S)-1-methyl-2-propan-2-ylpyrrolidine;(2R)-1-methyl-2-propan-2-ylpyrrolidine;tris(1-(2-methylpropyl)azetidine);4-(2-methylpropyl)morpholine;propan-2-ylcyclobutane;propan-2-ylcyclopropane;4-propan-2-yloxane;3-propan-2-yloxolane;(3S)-3-propan-2-yloxolane;(3R)-3-propan-2-yloxolane;tris(N,N,2-trimethylpropan-1-amine)
CID 167618311
1,1-difluoro-3-methylbutane;2,2-difluoro-4-methylpentane;1-methoxy-3-methylbutane;propan-2-ylcyclopropane;1,1,1-trideuterio-2-methylpropane
CID 165099578
2,3-dimethylbutane;1-methoxy-3-methylbutane;2-methylbutane;3-methylbutan-2-one;2-methylhexane;2-methylpropane;2-methylpropylcyclopropane;3-(2-methylpropyl)oxetane;3-(2-methylpropyl)oxolane;1,1,1-trifluoro-3-methylbutane;N,N,3-trimethylbutan-1-amine
CID 167651770
N,N-diethyl-2-methylpropan-1-amine;3,3-difluoro-1-(2-methylpropyl)azetidine;4,4-difluoro-1-(2-methylpropyl)piperidine;3-fluoro-1-(2-methylpropyl)azetidine;4-fluoro-1-(2-methylpropyl)piperidine;2-(2-methoxyethoxy)propane;2-methoxypropane;3-methyl-1-(2-methylpropyl)azetidin-3-ol;1-methyl-4-(2-methylpropyl)piperazine;2-methylpropan-1-ol;1-(2-methylpropyl)azetidine;1-(2-methylpropyl)azetidin-3-ol;1-(2-methylpropyl)imidazole;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)piperazine;1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrazole;1-(2-methylpropyl)pyrrole;4-(propan-2-yloxymethyl)oxane;N,N,2-trimethylpropan-1-amine
CID 163977603
1-chloro-3-propan-2-ylcyclobutane;2,3-dimethylbutane;2,4-dimethylpentane;2-methylbutane;3-methylbutan-1-ol;2-methylhexane;3-methyl-1-methylsulfonylbutane;2-methylpentane;1-methyl-4-propan-2-ylpiperidine;1-methylsulfonyl-4-propan-2-ylpiperidine;propan-2-ylcyclobutane;3-propan-2-ylcyclobutan-1-ol;bis(propan-2-ylcyclohexane);propan-2-ylcyclopentane;propan-2-ylcyclopropane;4-propan-2-yloxane;3-propan-2-yloxetane;4-propan-2-ylpiperidine;1-(4-propan-2-ylpiperidin-1-yl)ethanone;N,N,3-trimethylbutan-1-amine;2,2,3-trimethylbutane;2,2,4-trimethylpentane;N,N,2-trimethylpropan-1-amine
CID 167613693
1-(2-methoxyethyl)-4-(2-methylpropyl)piperazine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)pyrrolidine
CID 161159887
1,1-difluoro-3-methylbutane;1,1-difluoro-6-methylheptan-4-one;3,3-difluoro-5-methylhexan-1-ol;1,1-difluoro-7-methyloctan-4-one;2,2-difluoro-4-methylpentane;2,2-difluoro-4-methylpentan-1-ol;1,1-difluoro-4-(2-methylpropyl)cyclohexane;2,3-dimethylpentane;1-fluoro-3-methylbutane;2-fluoro-4-methylpentan-1-ol;7-hydroxy-2-methyloctan-4-one;bis(1-methoxy-3-methylbutane);3-methylbutanamide;3-methylbutanoic acid;3-methylbutylcyclopropane;bis(2-methylhexane);5-methylhexan-3-ol;1-methyl-4-(2-methylpropyl)benzene;1-methyl-4-(2-methylpropyl)cyclohexane;(2R)-4-methylpentan-2-ol;(2S)-4-methylpentan-2-ol;4-methylpentan-2-ol;2-methylpropylbenzene;2-methylpropylcyclobutane;2-methylpropylcyclohexane;2-methylpropylcyclopropane;1,1,1-trifluoro-3-methylbutane;N,N,3-trimethylbutan-1-amine;2,2,4-trimethylpentane
CID 165030408
methane;1-(2-methoxyethyl)-4-(2-methylpropyl)piperazine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)pyrrolidine
CID 158580646
1-ethyl-2-propan-2-ylpiperidine;1-ethyl-3-propan-2-ylpiperidine;1-ethyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylazepane;4-methyl-6-propan-2-yl-1,4-oxazepane;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine
CID 160709662
1-methoxy-4-(2-methylpropyl)benzene;1-methoxy-4-propan-2-ylbenzene;3-methylbutan-1-ol;1-methyl-4-(2-methylpropyl)piperazine;2-methylpentane;2-methylpropylbenzene;2-methylpropylcyclohexane;4-(2-methylpropyl)morpholine;5-propan-2-yl-1,3-benzodioxole;propan-2-ylcyclopentane
CID 159315161
3-fluoro-1-(2-methylpropyl)pyrrolidine;methane;1-(3-methylbutyl)piperidine;1-(2-methylpropyl)azetidine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)pyrrolidine;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;1-propan-2-yloxybutan-2-ol;1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine
CID 157394091
3-(2-methylpropyl)-1-[2-(oxan-4-yl)ethyl]piperidine
CID 169242150

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3-methylbutane;bis(2,3-dimethylbutan-2-ol);tris(N,N-dimethyl-1-propan-2-ylcyclopropan-1-amine);tris(3-fluoro-1-(2-methylpropyl)azetidine);tris(2-methoxy-2,3-dimethylbutane);1-methoxy-3-methylbutane;(2S)-3-methylbutan-2-ol;(2R)-3-methylbutan-2-ol;3-methylbutan-1-ol;3-methylbutan-2-ol;hexakis(3-methylbutylcyclopropane);bis(2-methylpropan-1-ol);1-methyl-2-propan-2-ylpyrrolidine;(2S)-1-methyl-2-propan-2-ylpyrrolidine;(2R)-1-methyl-2-propan-2-ylpyrrolidine;tris(1-(2-methylpropyl)azetidine);4-(2-methylpropyl)morpholine;propan-2-ylcyclobutane;propan-2-ylcyclopropane;4-propan-2-yloxane;3-propan-2-yloxolane;(3S)-3-propan-2-yloxolane;(3R)-3-propan-2-yloxolane;1,1,1-trifluoro-3-methylbutane;tris(N,N,2-trimethylpropan-1-amine)?
The IUPAC name of 1,1-difluoro-3-methylbutane;bis(2,3-dimethylbutan-2-ol);tris(N,N-dimethyl-1-propan-2-ylcyclopropan-1-amine);tris(3-fluoro-1-(2-methylpropyl)azetidine);tris(2-methoxy-2,3-dimethylbutane);1-methoxy-3-methylbutane;(2S)-3-methylbutan-2-ol;(2R)-3-methylbutan-2-ol;3-methylbutan-1-ol;3-methylbutan-2-ol;hexakis(3-methylbutylcyclopropane);bis(2-methylpropan-1-ol);1-methyl-2-propan-2-ylpyrrolidine;(2S)-1-methyl-2-propan-2-ylpyrrolidine;(2R)-1-methyl-2-propan-2-ylpyrrolidine;tris(1-(2-methylpropyl)azetidine);4-(2-methylpropyl)morpholine;propan-2-ylcyclobutane;propan-2-ylcyclopropane;4-propan-2-yloxane;3-propan-2-yloxolane;(3S)-3-propan-2-yloxolane;(3R)-3-propan-2-yloxolane;1,1,1-trifluoro-3-methylbutane;tris(N,N,2-trimethylpropan-1-amine) (CID 162004757) is 1,1-difluoro-3-methylbutane;bis(2,3-dimethylbutan-2-ol);tris(N,N-dimethyl-1-propan-2-ylcyclopropan-1-amine);tris(3-fluoro-1-(2-methylpropyl)azetidine);tris(2-methoxy-2,3-dimethylbutane);1-methoxy-3-methylbutane;(2S)-3-methylbutan-2-ol;(2R)-3-methylbutan-2-ol;3-methylbutan-1-ol;3-methylbutan-2-ol;hexakis(3-methylbutylcyclopropane);bis(2-methylpropan-1-ol);1-methyl-2-propan-2-ylpyrrolidine;(2S)-1-methyl-2-propan-2-ylpyrrolidine;(2R)-1-methyl-2-propan-2-ylpyrrolidine;tris(1-(2-methylpropyl)azetidine);4-(2-methylpropyl)morpholine;propan-2-ylcyclobutane;propan-2-ylcyclopropane;4-propan-2-yloxane;3-propan-2-yloxolane;(3S)-3-propan-2-yloxolane;(3R)-3-propan-2-yloxolane;1,1,1-trifluoro-3-methylbutane;tris(N,N,2-trimethylpropan-1-amine).
What is the SMILES notation for 1,1-difluoro-3-methylbutane;bis(2,3-dimethylbutan-2-ol);tris(N,N-dimethyl-1-propan-2-ylcyclopropan-1-amine);tris(3-fluoro-1-(2-methylpropyl)azetidine);tris(2-methoxy-2,3-dimethylbutane);1-methoxy-3-methylbutane;(2S)-3-methylbutan-2-ol;(2R)-3-methylbutan-2-ol;3-methylbutan-1-ol;3-methylbutan-2-ol;hexakis(3-methylbutylcyclopropane);bis(2-methylpropan-1-ol);1-methyl-2-propan-2-ylpyrrolidine;(2S)-1-methyl-2-propan-2-ylpyrrolidine;(2R)-1-methyl-2-propan-2-ylpyrrolidine;tris(1-(2-methylpropyl)azetidine);4-(2-methylpropyl)morpholine;propan-2-ylcyclobutane;propan-2-ylcyclopropane;4-propan-2-yloxane;3-propan-2-yloxolane;(3S)-3-propan-2-yloxolane;(3R)-3-propan-2-yloxolane;1,1,1-trifluoro-3-methylbutane;tris(N,N,2-trimethylpropan-1-amine)?
The canonical SMILES for 1,1-difluoro-3-methylbutane;bis(2,3-dimethylbutan-2-ol);tris(N,N-dimethyl-1-propan-2-ylcyclopropan-1-amine);tris(3-fluoro-1-(2-methylpropyl)azetidine);tris(2-methoxy-2,3-dimethylbutane);1-methoxy-3-methylbutane;(2S)-3-methylbutan-2-ol;(2R)-3-methylbutan-2-ol;3-methylbutan-1-ol;3-methylbutan-2-ol;hexakis(3-methylbutylcyclopropane);bis(2-methylpropan-1-ol);1-methyl-2-propan-2-ylpyrrolidine;(2S)-1-methyl-2-propan-2-ylpyrrolidine;(2R)-1-methyl-2-propan-2-ylpyrrolidine;tris(1-(2-methylpropyl)azetidine);4-(2-methylpropyl)morpholine;propan-2-ylcyclobutane;propan-2-ylcyclopropane;4-propan-2-yloxane;3-propan-2-yloxolane;(3S)-3-propan-2-yloxolane;(3R)-3-propan-2-yloxolane;1,1,1-trifluoro-3-methylbutane;tris(N,N,2-trimethylpropan-1-amine) is CC(C)C(C)(C)O.CC(C)C(C)(C)O.CC(C)C(C)O.CC(C)C1(N(C)C)CC1.CC(C)C1(N(C)C)CC1.CC(C)C1(N(C)C)CC1.CC(C)C1CC1.CC(C)C1CCC1.CC(C)C1CCCN1C.CC(C)C1CCOC1.CC(C)C1CCOCC1.CC(C)CC(F)(F)F.CC(C)CC(F)F.CC(C)CCC1CC1.CC(C)CCC1CC1.CC(C)CCC1CC1.CC(C)CCC1CC1.CC(C)CCC1CC1.CC(C)CCC1CC1.CC(C)CCO.CC(C)CN(C)C.CC(C)CN(C)C.CC(C)CN(C)C.CC(C)CN1CC(F)C1.CC(C)CN1CC(F)C1.CC(C)CN1CC(F)C1.CC(C)CN1CCC1.CC(C)CN1CCC1.CC(C)CN1CCC1.CC(C)CN1CCOCC1.CC(C)CO.CC(C)CO.CC(C)[C@@H](C)O.CC(C)[C@@H]1CCCN1C.CC(C)[C@@H]1CCOC1.CC(C)[C@H](C)O.CC(C)[C@H]1CCCN1C.CC(C)[C@H]1CCOC1.COC(C)(C)C(C)C.COC(C)(C)C(C)C.COC(C)(C)C(C)C.COCCC(C)C.
What is the InChIKey of 1,1-difluoro-3-methylbutane;bis(2,3-dimethylbutan-2-ol);tris(N,N-dimethyl-1-propan-2-ylcyclopropan-1-amine);tris(3-fluoro-1-(2-methylpropyl)azetidine);tris(2-methoxy-2,3-dimethylbutane);1-methoxy-3-methylbutane;(2S)-3-methylbutan-2-ol;(2R)-3-methylbutan-2-ol;3-methylbutan-1-ol;3-methylbutan-2-ol;hexakis(3-methylbutylcyclopropane);bis(2-methylpropan-1-ol);1-methyl-2-propan-2-ylpyrrolidine;(2S)-1-methyl-2-propan-2-ylpyrrolidine;(2R)-1-methyl-2-propan-2-ylpyrrolidine;tris(1-(2-methylpropyl)azetidine);4-(2-methylpropyl)morpholine;propan-2-ylcyclobutane;propan-2-ylcyclopropane;4-propan-2-yloxane;3-propan-2-yloxolane;(3S)-3-propan-2-yloxolane;(3R)-3-propan-2-yloxolane;1,1,1-trifluoro-3-methylbutane;tris(N,N,2-trimethylpropan-1-amine)?
The InChIKey is YSRLDECSCSESRF-NXPGBWOBSA-N. The full InChI is InChI=1S/C8H17NO.6C8H17N.C8H16O.6C8H16.3C7H14FN.3C7H15N.3C7H14O.3C7H16O.C7H14.3C6H15N.3C6H14O.C6H12.C5H9F3.C5H10F2.4C5H12O.2C4H10O/c1-8(2)7-9-3-5-10-6-4-9;3*1-7(2)8(5-6-8)9(3)4;3*1-7(2)8-5-4-6-9(8)3;1-7(2)8-3-5-9-6-4-8;6*1-7(2)3-4-8-5-6-8;3*1-6(2)3-9-4-7(8)5-9;3*1-7(2)6-8-4-3-5-8;3*1-6(2)7-3-4-8-5-7;3*1-6(2)7(3,4)8-5;1-6(2)7-4-3-5-7;3*1-6(2)5-7(3)4;1-6(2)4-5-7-3;2*1-5(2)6(3,4)7;1-5(2)6-3-4-6;1-4(2)3-5(6,7)8;1-4(2)3-5(6)7;1-5(2)3-4-6;3*1-4(2)5(3)6;2*1-4(2)3-5/h8H,3-7H2,1-2H3;3*7H,5-6H2,1-4H3;3*7-8H,4-6H2,1-3H3;7-8H,3-6H2,1-2H3;6*7-8H,3-6H2,1-2H3;3*6-7H,3-5H2,1-2H3;3*7H,3-6H2,1-2H3;3*6-7H,3-5H2,1-2H3;3*6H,1-5H3;6-7H,3-5H2,1-2H3;3*6H,5H2,1-4H3;6H,4-5H2,1-3H3;2*5,7H,1-4H3;5-6H,3-4H2,1-2H3;4H,3H2,1-2H3;4-5H,3H2,1-2H3;5-6H,3-4H2,1-2H3;3*4-6H,1-3H3;2*4-5H,3H2,1-2H3/t;;;;2*8-;;;;;;;;;;;;;;;2*7-;;;;;;;;;;;;;;;;2*5-;;;/m....10..............10...............10.../s1.
What are the key properties of 1,1-difluoro-3-methylbutane;bis(2,3-dimethylbutan-2-ol);tris(N,N-dimethyl-1-propan-2-ylcyclopropan-1-amine);tris(3-fluoro-1-(2-methylpropyl)azetidine);tris(2-methoxy-2,3-dimethylbutane);1-methoxy-3-methylbutane;(2S)-3-methylbutan-2-ol;(2R)-3-methylbutan-2-ol;3-methylbutan-1-ol;3-methylbutan-2-ol;hexakis(3-methylbutylcyclopropane);bis(2-methylpropan-1-ol);1-methyl-2-propan-2-ylpyrrolidine;(2S)-1-methyl-2-propan-2-ylpyrrolidine;(2R)-1-methyl-2-propan-2-ylpyrrolidine;tris(1-(2-methylpropyl)azetidine);4-(2-methylpropyl)morpholine;propan-2-ylcyclobutane;propan-2-ylcyclopropane;4-propan-2-yloxane;3-propan-2-yloxolane;(3S)-3-propan-2-yloxolane;(3R)-3-propan-2-yloxolane;1,1,1-trifluoro-3-methylbutane;tris(N,N,2-trimethylpropan-1-amine)?
1,1-difluoro-3-methylbutane;bis(2,3-dimethylbutan-2-ol);tris(N,N-dimethyl-1-propan-2-ylcyclopropan-1-amine);tris(3-fluoro-1-(2-methylpropyl)azetidine);tris(2-methoxy-2,3-dimethylbutane);1-methoxy-3-methylbutane;(2S)-3-methylbutan-2-ol;(2R)-3-methylbutan-2-ol;3-methylbutan-1-ol;3-methylbutan-2-ol;hexakis(3-methylbutylcyclopropane);bis(2-methylpropan-1-ol);1-methyl-2-propan-2-ylpyrrolidine;(2S)-1-methyl-2-propan-2-ylpyrrolidine;(2R)-1-methyl-2-propan-2-ylpyrrolidine;tris(1-(2-methylpropyl)azetidine);4-(2-methylpropyl)morpholine;propan-2-ylcyclobutane;propan-2-ylcyclopropane;4-propan-2-yloxane;3-propan-2-yloxolane;(3S)-3-propan-2-yloxolane;(3R)-3-propan-2-yloxolane;1,1,1-trifluoro-3-methylbutane;tris(N,N,2-trimethylpropan-1-amine) has a molecular weight of 4660.06 g/mol, XLogP of 72.50, 74 rotatable bonds, 8 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3-methylbutane;bis(2,3-dimethylbutan-2-ol);tris(N,N-dimethyl-1-propan-2-ylcyclopropan-1-amine);tris(3-fluoro-1-(2-methylpropyl)azetidine);tris(2-methoxy-2,3-dimethylbutane);1-methoxy-3-methylbutane;(2S)-3-methylbutan-2-ol;(2R)-3-methylbutan-2-ol;3-methylbutan-1-ol;3-methylbutan-2-ol;hexakis(3-methylbutylcyclopropane);bis(2-methylpropan-1-ol);1-methyl-2-propan-2-ylpyrrolidine;(2S)-1-methyl-2-propan-2-ylpyrrolidine;(2R)-1-methyl-2-propan-2-ylpyrrolidine;tris(1-(2-methylpropyl)azetidine);4-(2-methylpropyl)morpholine;propan-2-ylcyclobutane;propan-2-ylcyclopropane;4-propan-2-yloxane;3-propan-2-yloxolane;(3S)-3-propan-2-yloxolane;(3R)-3-propan-2-yloxolane;1,1,1-trifluoro-3-methylbutane;tris(N,N,2-trimethylpropan-1-amine) is sourced from PubChem (CID 162004757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).