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

C224H455F19N2O16 — CID 165030408

IUPAC1,1-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
SMILESCC(C)CC(=O)CCC(C)O.CC(C)CC(=O)CCC(F)F.CC(C)CC(=O)O.CC(C)CC(C)(C)C.CC(C)CC(C)(F)F.CC(C)CC(C)O.CC(C)CC(F)(F)CCO.CC(C)CC(F)(F)CO.CC(C)CC(F)(F)F.CC(C)CC(F)CO.CC(C)CC(F)F.CC(C)CC(N)=O.CC(C)CC1CC1.CC(C)CC1CCC(C)CC1.CC(C)CC1CCC(F)(F)CC1.CC(C)CC1CCC1.CC(C)CC1CCCCC1.CC(C)CCC(=O)CCC(F)F.CC(C)CCC1CC1.CC(C)CCF.CC(C)CCN(C)C.CC(C)C[C@@H](C)O.CC(C)C[C@H](C)O.CC(C)Cc1ccccc1.CCC(C)C(C)C.CCC(O)CC(C)C.CCCCC(C)C.CCCCC(C)C.COCCC(C)C.COCCC(C)C.Cc1ccc(CC(C)C)cc1
InChIInChI=1S/C11H22.C11H16.C10H18F2.C10H20.C10H14.C9H16F2O.C9H18O2.C8H14F2O.2C8H16.C8H18.C7H14F2O.C7H17N.C7H16O.C7H14.3C7H16.C6H12F2O.C6H12F2.C6H13FO.5C6H14O.C5H9F3.C5H10F2.C5H11F.C5H11NO.C5H10O2/c2*1-9(2)8-11-6-4-10(3)5-7-11;1-8(2)7-9-3-5-10(11,12)6-4-9;2*1-9(2)8-10-6-4-3-5-7-10;1-7(2)3-4-8(12)5-6-9(10)11;1-7(2)6-9(11)5-4-8(3)10;1-6(2)5-7(11)3-4-8(9)10;1-7(2)3-4-8-5-6-8;1-7(2)6-8-4-3-5-8;1-7(2)6-8(3,4)5;1-6(2)5-7(8,9)3-4-10;1-7(2)5-6-8(3)4;1-4-7(8)5-6(2)3;1-6(2)5-7-3-4-7;1-5-7(4)6(2)3;2*1-4-5-6-7(2)3;1-5(2)3-6(7,8)4-9;1-5(2)4-6(3,7)8;1-5(2)3-6(7)4-8;2*1-6(2)4-5-7-3;3*1-5(2)4-6(3)7;1-4(2)3-5(6,7)8;1-4(2)3-5(6)7;1-5(2)3-4-6;2*1-4(2)3-5(6)7/h9-11H,4-8H2,1-3H3;4-7,9H,8H2,1-3H3;8-9H,3-7H2,1-2H3;9-10H,3-8H2,1-2H3;3-7,9H,8H2,1-2H3;7,9H,3-6H2,1-2H3;7-8,10H,4-6H2,1-3H3;6,8H,3-5H2,1-2H3;2*7-8H,3-6H2,1-2H3;7H,6H2,1-5H3;6,10H,3-5H2,1-2H3;7H,5-6H2,1-4H3;6-8H,4-5H2,1-3H3;6-7H,3-5H2,1-2H3;6-7H,5H2,1-4H3;2*7H,4-6H2,1-3H3;5,9H,3-4H2,1-2H3;5H,4H2,1-3H3;5-6,8H,3-4H2,1-2H3;2*6H,4-5H2,1-3H3;3*5-7H,4H2,1-3H3;4H,3H2,1-2H3;4-5H,3H2,1-2H3;5H,3-4H2,1-2H3;4H,3H2,1-2H3,(H2,6,7);4H,3H2,1-2H3,(H,6,7)/t;;;;;;;;;;;;;;;;;;;;;;;2*6-;;;;;;/m.......................10....../s1
InChIKeyMOGJVOJLHVRWKD-VFSSMPANSA-N
MW3794.06 g/mol
LogP71.68
Rot. Bonds81

About 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

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 (PubChem CID 165030408) has the molecular formula C224H455F19N2O16 and a molecular weight of 3794.06 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1,1-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
PubChem CID165030408
Molecular FormulaC224H455F19N2O16
Molecular Weight3794.06 g/mol
Exact Mass3791.45
IUPAC Name1,1-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
SMILESCC(C)CC(=O)CCC(C)O.CC(C)CC(=O)CCC(F)F.CC(C)CC(=O)O.CC(C)CC(C)(C)C.CC(C)CC(C)(F)F.CC(C)CC(C)O.CC(C)CC(F)(F)CCO.CC(C)CC(F)(F)CO.CC(C)CC(F)(F)F.CC(C)CC(F)CO.CC(C)CC(F)F.CC(C)CC(N)=O.CC(C)CC1CC1.CC(C)CC1CCC(C)CC1.CC(C)CC1CCC(F)(F)CC1.CC(C)CC1CCC1.CC(C)CC1CCCCC1.CC(C)CCC(=O)CCC(F)F.CC(C)CCC1CC1.CC(C)CCF.CC(C)CCN(C)C.CC(C)C[C@@H](C)O.CC(C)C[C@H](C)O.CC(C)Cc1ccccc1.CCC(C)C(C)C.CCC(O)CC(C)C.CCCCC(C)C.CCCCC(C)C.COCCC(C)C.COCCC(C)C.Cc1ccc(CC(C)C)cc1
InChIInChI=1S/C11H22.C11H16.C10H18F2.C10H20.C10H14.C9H16F2O.C9H18O2.C8H14F2O.2C8H16.C8H18.C7H14F2O.C7H17N.C7H16O.C7H14.3C7H16.C6H12F2O.C6H12F2.C6H13FO.5C6H14O.C5H9F3.C5H10F2.C5H11F.C5H11NO.C5H10O2/c2*1-9(2)8-11-6-4-10(3)5-7-11;1-8(2)7-9-3-5-10(11,12)6-4-9;2*1-9(2)8-10-6-4-3-5-7-10;1-7(2)3-4-8(12)5-6-9(10)11;1-7(2)6-9(11)5-4-8(3)10;1-6(2)5-7(11)3-4-8(9)10;1-7(2)3-4-8-5-6-8;1-7(2)6-8-4-3-5-8;1-7(2)6-8(3,4)5;1-6(2)5-7(8,9)3-4-10;1-7(2)5-6-8(3)4;1-4-7(8)5-6(2)3;1-6(2)5-7-3-4-7;1-5-7(4)6(2)3;2*1-4-5-6-7(2)3;1-5(2)3-6(7,8)4-9;1-5(2)4-6(3,7)8;1-5(2)3-6(7)4-8;2*1-6(2)4-5-7-3;3*1-5(2)4-6(3)7;1-4(2)3-5(6,7)8;1-4(2)3-5(6)7;1-5(2)3-4-6;2*1-4(2)3-5(6)7/h9-11H,4-8H2,1-3H3;4-7,9H,8H2,1-3H3;8-9H,3-7H2,1-2H3;9-10H,3-8H2,1-2H3;3-7,9H,8H2,1-2H3;7,9H,3-6H2,1-2H3;7-8,10H,4-6H2,1-3H3;6,8H,3-5H2,1-2H3;2*7-8H,3-6H2,1-2H3;7H,6H2,1-5H3;6,10H,3-5H2,1-2H3;7H,5-6H2,1-4H3;6-8H,4-5H2,1-3H3;6-7H,3-5H2,1-2H3;6-7H,5H2,1-4H3;2*7H,4-6H2,1-3H3;5,9H,3-4H2,1-2H3;5H,4H2,1-3H3;5-6,8H,3-4H2,1-2H3;2*6H,4-5H2,1-3H3;3*5-7H,4H2,1-3H3;4H,3H2,1-2H3;4-5H,3H2,1-2H3;5H,3-4H2,1-2H3;4H,3H2,1-2H3,(H2,6,7);4H,3H2,1-2H3,(H,6,7)/t;;;;;;;;;;;;;;;;;;;;;;;2*6-;;;;;;/m.......................10....../s1
InChIKeyMOGJVOJLHVRWKD-VFSSMPANSA-N
XLogP71.68
TPSA315.14 Ų
H-Bond Donors10
H-Bond Acceptors16
Rotatable Bonds81
Heavy Atoms261
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003794.06
LogP ≤ 571.68
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1016

Analyze 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 with MolForge

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Related Compounds

cumene;N,N-diethyl-3-methylbutan-1-amine;2,3-dimethylbutane;2,4-dimethylpentane;2,2-dimethylpropane;3-methylbutanamide;3-methylbutan-1-amine;2-methylbutane;3-methylbutan-1-ol;3-methylbutan-2-ol;3-methylbutylbenzene;3-methylbutylcyclohexane;4-methylpentanamide;2-methylpentane;2-methylpropane;2-methylpropan-1-ol;2-methylpropylbenzene;2-methylpropylcyclohexane;5-(2-methylpropyl)-1H-imidazole;4-(2-methylpropyl)phenol;2-propan-2-ylthiophene
CID 162057572
1,1-difluoro-4-propan-2-ylcyclohexane;2,3-dimethylbutane;2,3-dimethylpentane;1-methoxy-2-methylpropane;5-methylhexanoic acid;4-methylpentanoic acid;1-methyl-3-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylcyclohexane;propan-2-ylcyclobutane;1,1,1-trifluoro-4-methylpentane;2,2,3-trimethylbutane
CID 162259879
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
2,3-dimethylbutane;2,5-dimethylhexane;2,4-dimethylpentane;1,1-dimethyl-3-propan-2-ylcyclobutane;1,1-dimethyl-4-propan-2-ylcyclohexane;4-ethyl-2-methylhexane;2-methyldecane;2-methylheptane;2-methylhexane;2-methyloctane;2-methylpentane;2-methylpropylbenzene;2-methylpropylcyclobutane;2-methylpropylcyclopentane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;2-propan-2-ylspiro[3.3]heptane;2,2,4-trimethylpentane
CID 165099553
3-(dimethylamino)propyl N-[(3S,5S,6S)-7-cyclohexyl-5-hydroxy-6-[[(2S)-2-[(2S)-1-[4-(methoxymethoxy)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]oxyhexanoyl]amino]-2-methylheptan-3-yl]carbamate
CID 14991499
ethane;3-methylbutylcyclohexane;2-methylpropylcyclohexane;propylbenzene
CID 167540027
N-butyl-4-ethylbenzamide;3-[[4-(1,1-difluoroethyl)phenyl]methyl]hexanoic acid;formamide;3-(3-methylcyclohexyl)-N-(2-oxopropyl)propanamide;methylcyclopropane;propane;propan-1-ol;toluene
CID 176967446
cumene;1,1-difluoro-4-propan-2-ylcyclohexane;2,3-dimethylbutane;2,3-dimethylpentane;methane;5-methylhexanoic acid;2-methyl-1-[(2-methylpropan-2-yl)oxy]propane;4-methylpentanoic acid;1-methyl-3-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylcyclohexane;propan-2-ylcyclobutane;4-propan-2-yloxane;1,1,1-trifluoro-4-methylpentane;2,2,3-trimethylbutane
CID 158443199
1,1-difluoro-3-methylbutane;2,2-difluoro-5-methylhexane;N,3-dimethylbutanamide;N,3-dimethylbutan-1-amine;1-fluoro-2-(fluoromethyl)-3-methylbutane;1-isocyano-2-methylpropane;1-methoxy-2,3-dimethylbutane;1-methoxy-2-(methoxymethyl)-3-methylbutane;bis(1-methoxy-3-methylbutane);3-(methoxymethyl)-2,4-dimethylpentan-2-ol;2-(methoxymethyl)-3-methylbutanoic acid;2-(methoxymethyl)-3-methylbutan-1-ol;(2S)-2-methoxy-4-methylpentane;3-methylbutanamide;2-methylbutane;bis(3-methylbutan-1-ol);2-methylhexane;methyl 2-(methoxymethyl)-3-methylbutanoate;methyl 3-methylbutanoate;3-methyl-1-methylsulfanylbutane;bis(4-methylpentan-2-ol);(2S)-3-methyl-2-(trifluoromethyl)butan-1-ol;(2R)-1,1,1-trifluoro-2-(methoxymethyl)-3-methylbutane;(2S)-1,1,1-trifluoro-2-(methoxymethyl)-3-methylbutane
CID 157163932
(2R)-N-[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]-2-(cyclopropylmethyl)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]butanediamide
CID 70044699
4-[tert-butyl(dimethyl)silyl]oxyheptan-2-one;1,1-difluoro-4-methylcyclohexane;1-fluoro-2-propylbenzene;heptan-2-one;1-iodo-4-(1-methylcyclopropyl)benzene;1-methoxy-2,3-dimethyl-5-propylbenzene;bis(methylcyclohexane);(3R)-3-methylheptane;1-methyl-4-(3-methylbutyl)benzene;pentylbenzene;propylbenzene
CID 158733371
benzyl N-[(3S)-1-[cyclohexyl(methyl)amino]-2-hydroxy-5-methylhexan-3-yl]carbamate
CID 22879556

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)CC(=O)CCC(C)O.CC(C)CC(=O)CCC(F)F.CC(C)CC(=O)O.CC(C)CC(C)(C)C.CC(C)CC(C)(F)F.CC(C)CC(C)O.CC(C)CC(F)(F)CCO.CC(C)CC(F)(F)CO.CC(C)CC(F)(F)F.CC(C)CC(F)CO.CC(C)CC(F)F.CC(C)CC(N)=O.CC(C)CC1CC1.CC(C)CC1CCC(C)CC1.CC(C)CC1CCC(F)(F)CC1.CC(C)CC1CCC1.CC(C)CC1CCCCC1.CC(C)CCC(=O)CCC(F)F.CC(C)CCC1CC1.CC(C)CCF.CC(C)CCN(C)C.CC(C)C[C@@H](C)O.CC(C)C[C@H](C)O.CC(C)Cc1ccccc1.CCC(C)C(C)C.CCC(O)CC(C)C.CCCCC(C)C.CCCCC(C)C.COCCC(C)C.COCCC(C)C.Cc1ccc(CC(C)C)cc1.
What is the InChIKey of 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?
The InChIKey is MOGJVOJLHVRWKD-VFSSMPANSA-N. The full InChI is InChI=1S/C11H22.C11H16.C10H18F2.C10H20.C10H14.C9H16F2O.C9H18O2.C8H14F2O.2C8H16.C8H18.C7H14F2O.C7H17N.C7H16O.C7H14.3C7H16.C6H12F2O.C6H12F2.C6H13FO.5C6H14O.C5H9F3.C5H10F2.C5H11F.C5H11NO.C5H10O2/c2*1-9(2)8-11-6-4-10(3)5-7-11;1-8(2)7-9-3-5-10(11,12)6-4-9;2*1-9(2)8-10-6-4-3-5-7-10;1-7(2)3-4-8(12)5-6-9(10)11;1-7(2)6-9(11)5-4-8(3)10;1-6(2)5-7(11)3-4-8(9)10;1-7(2)3-4-8-5-6-8;1-7(2)6-8-4-3-5-8;1-7(2)6-8(3,4)5;1-6(2)5-7(8,9)3-4-10;1-7(2)5-6-8(3)4;1-4-7(8)5-6(2)3;1-6(2)5-7-3-4-7;1-5-7(4)6(2)3;2*1-4-5-6-7(2)3;1-5(2)3-6(7,8)4-9;1-5(2)4-6(3,7)8;1-5(2)3-6(7)4-8;2*1-6(2)4-5-7-3;3*1-5(2)4-6(3)7;1-4(2)3-5(6,7)8;1-4(2)3-5(6)7;1-5(2)3-4-6;2*1-4(2)3-5(6)7/h9-11H,4-8H2,1-3H3;4-7,9H,8H2,1-3H3;8-9H,3-7H2,1-2H3;9-10H,3-8H2,1-2H3;3-7,9H,8H2,1-2H3;7,9H,3-6H2,1-2H3;7-8,10H,4-6H2,1-3H3;6,8H,3-5H2,1-2H3;2*7-8H,3-6H2,1-2H3;7H,6H2,1-5H3;6,10H,3-5H2,1-2H3;7H,5-6H2,1-4H3;6-8H,4-5H2,1-3H3;6-7H,3-5H2,1-2H3;6-7H,5H2,1-4H3;2*7H,4-6H2,1-3H3;5,9H,3-4H2,1-2H3;5H,4H2,1-3H3;5-6,8H,3-4H2,1-2H3;2*6H,4-5H2,1-3H3;3*5-7H,4H2,1-3H3;4H,3H2,1-2H3;4-5H,3H2,1-2H3;5H,3-4H2,1-2H3;4H,3H2,1-2H3,(H2,6,7);4H,3H2,1-2H3,(H,6,7)/t;;;;;;;;;;;;;;;;;;;;;;;2*6-;;;;;;/m.......................10....../s1.
What are the key properties of 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?
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 has a molecular weight of 3794.06 g/mol, XLogP of 71.68, 81 rotatable bonds, 10 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 165030408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).