2,2-difluoropropyl N-propan-2-ylcarbamate;(1-fluorocyclopropyl)methyl N-propan-2-ylcarbamate;3-fluoro-2-(3-methylbut-1-ynyl)pyridine;(3-fluoro-3-methylcyclohexyl) N-propan-2-ylcarbamate;(3-fluoro-2-pyridinyl)methyl N-propan-2-ylcarbamate;3-(3-methylbut-1-ynyl)pyridine;4-(3-methylbut-1-ynyl)pyridine;3-(3-methylbut-1-ynyl)thiophene;4-methyl-2-(3-methylbut-1-ynyl)pyrimidine;2-methylpropyl N-propan-2-ylcarbamate;(5-methyl-1H-pyrazol-3-yl)methyl N-propan-2-ylcarbamate;(4-methylpyrimidin-2-yl)methyl N-propan-2-ylcarbamate;(1-methyl-1,2,4-triazol-3-yl)methyl N-propan-2-ylcarbamate;propan-2-yl N-propan-2-ylcarbamate;spiro[2.4]heptan-6-yl N-propan-2-ylcarbamate

C138H209F6N23O20S — CID 159674258

IUPAC2,2-difluoropropyl N-propan-2-ylcarbamate;(1-fluorocyclopropyl)methyl N-propan-2-ylcarbamate;3-fluoro-2-(3-methylbut-1-ynyl)pyridine;(3-fluoro-3-methylcyclohexyl) N-propan-2-ylcarbamate;(3-fluoro-2-pyridinyl)methyl N-propan-2-ylcarbamate;3-(3-methylbut-1-ynyl)pyridine;4-(3-methylbut-1-ynyl)pyridine;3-(3-methylbut-1-ynyl)thiophene;4-methyl-2-(3-methylbut-1-ynyl)pyrimidine;2-methylpropyl N-propan-2-ylcarbamate;(5-methyl-1H-pyrazol-3-yl)methyl N-propan-2-ylcarbamate;(4-methylpyrimidin-2-yl)methyl N-propan-2-ylcarbamate;(1-methyl-1,2,4-triazol-3-yl)methyl N-propan-2-ylcarbamate;propan-2-yl N-propan-2-ylcarbamate;spiro[2.4]heptan-6-yl N-propan-2-ylcarbamate
SMILESCC(C)C#Cc1cccnc1.CC(C)C#Cc1ccncc1.CC(C)C#Cc1ccsc1.CC(C)C#Cc1ncccc1F.CC(C)COC(=O)NC(C)C.CC(C)NC(=O)OC(C)C.CC(C)NC(=O)OC1CCC2(CC2)C1.CC(C)NC(=O)OC1CCCC(C)(F)C1.CC(C)NC(=O)OCC(C)(F)F.CC(C)NC(=O)OCC1(F)CC1.CC(C)NC(=O)OCc1ncccc1F.CC(C)NC(=O)OCc1ncn(C)n1.Cc1cc(COC(=O)NC(C)C)n[nH]1.Cc1ccnc(C#CC(C)C)n1.Cc1ccnc(COC(=O)NC(C)C)n1
InChIInChI=1S/C11H20FNO2.C11H19NO2.C10H13FN2O2.C10H10FN.C10H15N3O2.C10H12N2.2C10H11N.C9H15N3O2.C9H10S.C8H14FNO2.C8H14N4O2.C8H17NO2.C7H13F2NO2.C7H15NO2/c1-8(2)13-10(14)15-9-5-4-6-11(3,12)7-9;1-8(2)12-10(13)14-9-3-4-11(7-9)5-6-11;1-7(2)13-10(14)15-6-9-8(11)4-3-5-12-9;1-8(2)5-6-10-9(11)4-3-7-12-10;1-7(2)12-10(14)15-6-9-11-5-4-8(3)13-9;1-8(2)4-5-10-11-7-6-9(3)12-10;1-9(2)3-4-10-5-7-11-8-6-10;1-9(2)5-6-10-4-3-7-11-8-10;1-6(2)10-9(13)14-5-8-4-7(3)11-12-8;1-8(2)3-4-9-5-6-10-7-9;1-6(2)10-7(11)12-5-8(9)3-4-8;1-6(2)10-8(13)14-4-7-9-5-12(3)11-7;1-6(2)5-11-8(10)9-7(3)4;1-5(2)10-6(11)12-4-7(3,8)9;1-5(2)8-7(9)10-6(3)4/h8-9H,4-7H2,1-3H3,(H,13,14);8-9H,3-7H2,1-2H3,(H,12,13);3-5,7H,6H2,1-2H3,(H,13,14);3-4,7-8H,1-2H3;4-5,7H,6H2,1-3H3,(H,12,14);6-8H,1-3H3;5-9H,1-2H3;3-4,7-9H,1-2H3;4,6H,5H2,1-3H3,(H,10,13)(H,11,12);5-8H,1-2H3;6H,3-5H2,1-2H3,(H,10,11);5-6H,4H2,1-3H3,(H,10,13);6-7H,5H2,1-4H3,(H,9,10);5H,4H2,1-3H3,(H,10,11);5-6H,1-4H3,(H,8,9)
InChIKeyMUJWERCDCONKRI-UHFFFAOYSA-N
MW2656.39 g/mol
LogP27.98
Rot. Bonds27

About 2,2-difluoropropyl N-propan-2-ylcarbamate;(1-fluorocyclopropyl)methyl N-propan-2-ylcarbamate;3-fluoro-2-(3-methylbut-1-ynyl)pyridine;(3-fluoro-3-methylcyclohexyl) N-propan-2-ylcarbamate;(3-fluoro-2-pyridinyl)methyl N-propan-2-ylcarbamate;3-(3-methylbut-1-ynyl)pyridine;4-(3-methylbut-1-ynyl)pyridine;3-(3-methylbut-1-ynyl)thiophene;4-methyl-2-(3-methylbut-1-ynyl)pyrimidine;2-methylpropyl N-propan-2-ylcarbamate;(5-methyl-1H-pyrazol-3-yl)methyl N-propan-2-ylcarbamate;(4-methylpyrimidin-2-yl)methyl N-propan-2-ylcarbamate;(1-methyl-1,2,4-triazol-3-yl)methyl N-propan-2-ylcarbamate;propan-2-yl N-propan-2-ylcarbamate;spiro[2.4]heptan-6-yl N-propan-2-ylcarbamate

2,2-difluoropropyl N-propan-2-ylcarbamate;(1-fluorocyclopropyl)methyl N-propan-2-ylcarbamate;3-fluoro-2-(3-methylbut-1-ynyl)pyridine;(3-fluoro-3-methylcyclohexyl) N-propan-2-ylcarbamate;(3-fluoro-2-pyridinyl)methyl N-propan-2-ylcarbamate;3-(3-methylbut-1-ynyl)pyridine;4-(3-methylbut-1-ynyl)pyridine;3-(3-methylbut-1-ynyl)thiophene;4-methyl-2-(3-methylbut-1-ynyl)pyrimidine;2-methylpropyl N-propan-2-ylcarbamate;(5-methyl-1H-pyrazol-3-yl)methyl N-propan-2-ylcarbamate;(4-methylpyrimidin-2-yl)methyl N-propan-2-ylcarbamate;(1-methyl-1,2,4-triazol-3-yl)methyl N-propan-2-ylcarbamate;propan-2-yl N-propan-2-ylcarbamate;spiro[2.4]heptan-6-yl N-propan-2-ylcarbamate (PubChem CID 159674258) has the molecular formula C138H209F6N23O20S and a molecular weight of 2656.39 g/mol. Its IUPAC name is 2,2-difluoropropyl N-propan-2-ylcarbamate;(1-fluorocyclopropyl)methyl N-propan-2-ylcarbamate;3-fluoro-2-(3-methylbut-1-ynyl)pyridine;(3-fluoro-3-methylcyclohexyl) N-propan-2-ylcarbamate;(3-fluoro-2-pyridinyl)methyl N-propan-2-ylcarbamate;3-(3-methylbut-1-ynyl)pyridine;4-(3-methylbut-1-ynyl)pyridine;3-(3-methylbut-1-ynyl)thiophene;4-methyl-2-(3-methylbut-1-ynyl)pyrimidine;2-methylpropyl N-propan-2-ylcarbamate;(5-methyl-1H-pyrazol-3-yl)methyl N-propan-2-ylcarbamate;(4-methylpyrimidin-2-yl)methyl N-propan-2-ylcarbamate;(1-methyl-1,2,4-triazol-3-yl)methyl N-propan-2-ylcarbamate;propan-2-yl N-propan-2-ylcarbamate;spiro[2.4]heptan-6-yl N-propan-2-ylcarbamate.

Molecular Properties

Compound Name2,2-difluoropropyl N-propan-2-ylcarbamate;(1-fluorocyclopropyl)methyl N-propan-2-ylcarbamate;3-fluoro-2-(3-methylbut-1-ynyl)pyridine;(3-fluoro-3-methylcyclohexyl) N-propan-2-ylcarbamate;(3-fluoro-2-pyridinyl)methyl N-propan-2-ylcarbamate;3-(3-methylbut-1-ynyl)pyridine;4-(3-methylbut-1-ynyl)pyridine;3-(3-methylbut-1-ynyl)thiophene;4-methyl-2-(3-methylbut-1-ynyl)pyrimidine;2-methylpropyl N-propan-2-ylcarbamate;(5-methyl-1H-pyrazol-3-yl)methyl N-propan-2-ylcarbamate;(4-methylpyrimidin-2-yl)methyl N-propan-2-ylcarbamate;(1-methyl-1,2,4-triazol-3-yl)methyl N-propan-2-ylcarbamate;propan-2-yl N-propan-2-ylcarbamate;spiro[2.4]heptan-6-yl N-propan-2-ylcarbamate
PubChem CID159674258
Molecular FormulaC138H209F6N23O20S
Molecular Weight2656.39 g/mol
Exact Mass2654.57
IUPAC Name2,2-difluoropropyl N-propan-2-ylcarbamate;(1-fluorocyclopropyl)methyl N-propan-2-ylcarbamate;3-fluoro-2-(3-methylbut-1-ynyl)pyridine;(3-fluoro-3-methylcyclohexyl) N-propan-2-ylcarbamate;(3-fluoro-2-pyridinyl)methyl N-propan-2-ylcarbamate;3-(3-methylbut-1-ynyl)pyridine;4-(3-methylbut-1-ynyl)pyridine;3-(3-methylbut-1-ynyl)thiophene;4-methyl-2-(3-methylbut-1-ynyl)pyrimidine;2-methylpropyl N-propan-2-ylcarbamate;(5-methyl-1H-pyrazol-3-yl)methyl N-propan-2-ylcarbamate;(4-methylpyrimidin-2-yl)methyl N-propan-2-ylcarbamate;(1-methyl-1,2,4-triazol-3-yl)methyl N-propan-2-ylcarbamate;propan-2-yl N-propan-2-ylcarbamate;spiro[2.4]heptan-6-yl N-propan-2-ylcarbamate
SMILESCC(C)C#Cc1cccnc1.CC(C)C#Cc1ccncc1.CC(C)C#Cc1ccsc1.CC(C)C#Cc1ncccc1F.CC(C)COC(=O)NC(C)C.CC(C)NC(=O)OC(C)C.CC(C)NC(=O)OC1CCC2(CC2)C1.CC(C)NC(=O)OC1CCCC(C)(F)C1.CC(C)NC(=O)OCC(C)(F)F.CC(C)NC(=O)OCC1(F)CC1.CC(C)NC(=O)OCc1ncccc1F.CC(C)NC(=O)OCc1ncn(C)n1.Cc1cc(COC(=O)NC(C)C)n[nH]1.Cc1ccnc(C#CC(C)C)n1.Cc1ccnc(COC(=O)NC(C)C)n1
InChIInChI=1S/C11H20FNO2.C11H19NO2.C10H13FN2O2.C10H10FN.C10H15N3O2.C10H12N2.2C10H11N.C9H15N3O2.C9H10S.C8H14FNO2.C8H14N4O2.C8H17NO2.C7H13F2NO2.C7H15NO2/c1-8(2)13-10(14)15-9-5-4-6-11(3,12)7-9;1-8(2)12-10(13)14-9-3-4-11(7-9)5-6-11;1-7(2)13-10(14)15-6-9-8(11)4-3-5-12-9;1-8(2)5-6-10-9(11)4-3-7-12-10;1-7(2)12-10(14)15-6-9-11-5-4-8(3)13-9;1-8(2)4-5-10-11-7-6-9(3)12-10;1-9(2)3-4-10-5-7-11-8-6-10;1-9(2)5-6-10-4-3-7-11-8-10;1-6(2)10-9(13)14-5-8-4-7(3)11-12-8;1-8(2)3-4-9-5-6-10-7-9;1-6(2)10-7(11)12-5-8(9)3-4-8;1-6(2)10-8(13)14-4-7-9-5-12(3)11-7;1-6(2)5-11-8(10)9-7(3)4;1-5(2)10-6(11)12-4-7(3,8)9;1-5(2)8-7(9)10-6(3)4/h8-9H,4-7H2,1-3H3,(H,13,14);8-9H,3-7H2,1-2H3,(H,12,13);3-5,7H,6H2,1-2H3,(H,13,14);3-4,7-8H,1-2H3;4-5,7H,6H2,1-3H3,(H,12,14);6-8H,1-3H3;5-9H,1-2H3;3-4,7-9H,1-2H3;4,6H,5H2,1-3H3,(H,10,13)(H,11,12);5-8H,1-2H3;6H,3-5H2,1-2H3,(H,10,11);5-6H,4H2,1-3H3,(H,10,13);6-7H,5H2,1-4H3,(H,9,10);5H,4H2,1-3H3,(H,10,11);5-6H,1-4H3,(H,8,9)
InChIKeyMUJWERCDCONKRI-UHFFFAOYSA-N
XLogP27.98
TPSA545.81 Ų
H-Bond Donors11
H-Bond Acceptors33
Rotatable Bonds27
Heavy Atoms188
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002656.39
LogP ≤ 527.98
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2,2-difluoropropyl N-propan-2-ylcarbamate;(1-fluorocyclopropyl)methyl N-propan-2-ylcarbamate;3-fluoro-2-(3-methylbut-1-ynyl)pyridine;(3-fluoro-3-methylcyclohexyl) N-propan-2-ylcarbamate;(3-fluoro-2-pyridinyl)methyl N-propan-2-ylcarbamate;3-(3-methylbut-1-ynyl)pyridine;4-(3-methylbut-1-ynyl)pyridine;3-(3-methylbut-1-ynyl)thiophene;4-methyl-2-(3-methylbut-1-ynyl)pyrimidine;2-methylpropyl N-propan-2-ylcarbamate;(5-methyl-1H-pyrazol-3-yl)methyl N-propan-2-ylcarbamate;(4-methylpyrimidin-2-yl)methyl N-propan-2-ylcarbamate;(1-methyl-1,2,4-triazol-3-yl)methyl N-propan-2-ylcarbamate;propan-2-yl N-propan-2-ylcarbamate;spiro[2.4]heptan-6-yl N-propan-2-ylcarbamate with MolForge

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Related Compounds

(3,3-difluorocyclohexyl) N-propan-2-ylcarbamate;(3,3-difluorocyclopentyl) N-propan-2-ylcarbamate;(2,2-difluorocyclopropyl) N-propan-2-ylcarbamate;(3-fluoro-2-pyridinyl)methyl N-propan-2-ylcarbamate;4-methyl-2-(3-methylbut-1-ynyl)pyrimidine;(5-methyl-1H-pyrazol-3-yl)methyl N-propan-2-ylcarbamate;(4-methylpyrimidin-2-yl)methyl N-propan-2-ylcarbamate;(1-methyl-1,2,4-triazol-3-yl)methyl N-propan-2-ylcarbamate;propan-2-yl N-propan-2-ylcarbamate;spiro[2.4]heptan-6-yl N-propan-2-ylcarbamate
CID 157236617
2,2-difluoropropyl N-propan-2-ylcarbamate;ethyl N-propan-2-ylcarbamate;3-fluoro-2-(3-methylbut-1-ynyl)pyridine;(2-fluoro-2-methylpropyl) N-propan-2-ylcarbamate;(3-fluoro-2-pyridinyl)methyl N-propan-2-ylcarbamate;methane;3-methylbutan-2-yl N-propan-2-ylcarbamate;2-(3-methylbut-1-ynyl)pyridine;4-(3-methylbut-1-ynyl)pyridine;3-(3-methylbut-1-ynyl)thiophene;(1-methylcyclopropyl)methyl N-propan-2-ylcarbamate;4-methyl-2-(3-methylbut-1-ynyl)pyrimidine;(5-methyl-1H-pyrazol-3-yl)methyl N-propan-2-ylcarbamate;(4-methylpyrimidin-2-yl)methyl N-propan-2-ylcarbamate;(1-methyl-1,2,4-triazol-3-yl)methyl N-propan-2-ylcarbamate;spiro[2.4]heptan-6-yl N-propan-2-ylcarbamate
CID 161042775
2,2-difluoropropyl N-propan-2-ylcarbamate;ethyl N-propan-2-ylcarbamate;3-fluoro-2-(3-methylbut-1-ynyl)pyridine;(2-fluoro-2-methylpropyl) N-propan-2-ylcarbamate;(3-fluoro-2-pyridinyl)methyl N-propan-2-ylcarbamate;3-(3-methylbut-1-ynyl)pyridine;4-(3-methylbut-1-ynyl)pyrimidine;3-(3-methylbut-1-ynyl)thiophene;(1-methylcyclopropyl)methyl N-propan-2-ylcarbamate;4-methyl-2-(3-methylbut-1-ynyl)pyrimidine;2-methylpropyl N-propan-2-ylcarbamate;(5-methyl-1H-pyrazol-3-yl)methyl N-propan-2-ylcarbamate;(4-methylpyrimidin-2-yl)methyl N-propan-2-ylcarbamate;(1-methyl-1,2,4-triazol-3-yl)methyl N-propan-2-ylcarbamate
CID 161732477
2,2-difluoropropyl N-propan-2-ylcarbamate;(1-fluorocyclopropyl)methyl N-propan-2-ylcarbamate;3-fluoro-2-(3-methylbut-1-ynyl)pyridine;(2-fluoro-2-methylpropyl) N-propan-2-ylcarbamate;(3-fluoro-2-pyridinyl)methyl N-propan-2-ylcarbamate;3-(3-methylbut-1-ynyl)pyridine;4-(3-methylbut-1-ynyl)pyridine;3-(3-methylbut-1-ynyl)thiophene;4-methyl-2-(3-methylbut-1-ynyl)pyrimidine;2-methylpropyl N-propan-2-ylcarbamate;(5-methyl-1H-pyrazol-3-yl)methyl N-propan-2-ylcarbamate;(4-methylpyrimidin-2-yl)methyl N-propan-2-ylcarbamate;(1-methyl-1,2,4-triazol-3-yl)methyl N-propan-2-ylcarbamate;2,2,2-trifluoroethyl N-propan-2-ylcarbamate
CID 161761452
3-fluoro-2-(3-methylbut-1-ynyl)pyridine;(3-fluoro-3-methylcyclohexyl) N-propan-2-ylcarbamate;(3-fluoro-3-methylcyclopentyl) N-propan-2-ylcarbamate;(3-fluoro-2-pyridinyl)methyl N-propan-2-ylcarbamate;3-(3-methylbut-1-ynyl)pyridine;4-(3-methylbut-1-ynyl)pyridine;4-methyl-2-(3-methylbut-1-ynyl)pyrimidine;(5-methyl-1H-pyrazol-3-yl)methyl N-propan-2-ylcarbamate;(4-methylpyrimidin-2-yl)methyl N-propan-2-ylcarbamate;(1-methyl-1,2,4-triazol-3-yl)methyl N-propan-2-ylcarbamate;propan-2-yl N-propan-2-ylcarbamate;spiro[2.4]heptan-6-yl N-propan-2-ylcarbamate
CID 160812995

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoropropyl N-propan-2-ylcarbamate;(1-fluorocyclopropyl)methyl N-propan-2-ylcarbamate;3-fluoro-2-(3-methylbut-1-ynyl)pyridine;(3-fluoro-3-methylcyclohexyl) N-propan-2-ylcarbamate;(3-fluoro-2-pyridinyl)methyl N-propan-2-ylcarbamate;3-(3-methylbut-1-ynyl)pyridine;4-(3-methylbut-1-ynyl)pyridine;3-(3-methylbut-1-ynyl)thiophene;4-methyl-2-(3-methylbut-1-ynyl)pyrimidine;2-methylpropyl N-propan-2-ylcarbamate;(5-methyl-1H-pyrazol-3-yl)methyl N-propan-2-ylcarbamate;(4-methylpyrimidin-2-yl)methyl N-propan-2-ylcarbamate;(1-methyl-1,2,4-triazol-3-yl)methyl N-propan-2-ylcarbamate;propan-2-yl N-propan-2-ylcarbamate;spiro[2.4]heptan-6-yl N-propan-2-ylcarbamate?
The IUPAC name of 2,2-difluoropropyl N-propan-2-ylcarbamate;(1-fluorocyclopropyl)methyl N-propan-2-ylcarbamate;3-fluoro-2-(3-methylbut-1-ynyl)pyridine;(3-fluoro-3-methylcyclohexyl) N-propan-2-ylcarbamate;(3-fluoro-2-pyridinyl)methyl N-propan-2-ylcarbamate;3-(3-methylbut-1-ynyl)pyridine;4-(3-methylbut-1-ynyl)pyridine;3-(3-methylbut-1-ynyl)thiophene;4-methyl-2-(3-methylbut-1-ynyl)pyrimidine;2-methylpropyl N-propan-2-ylcarbamate;(5-methyl-1H-pyrazol-3-yl)methyl N-propan-2-ylcarbamate;(4-methylpyrimidin-2-yl)methyl N-propan-2-ylcarbamate;(1-methyl-1,2,4-triazol-3-yl)methyl N-propan-2-ylcarbamate;propan-2-yl N-propan-2-ylcarbamate;spiro[2.4]heptan-6-yl N-propan-2-ylcarbamate (CID 159674258) is 2,2-difluoropropyl N-propan-2-ylcarbamate;(1-fluorocyclopropyl)methyl N-propan-2-ylcarbamate;3-fluoro-2-(3-methylbut-1-ynyl)pyridine;(3-fluoro-3-methylcyclohexyl) N-propan-2-ylcarbamate;(3-fluoro-2-pyridinyl)methyl N-propan-2-ylcarbamate;3-(3-methylbut-1-ynyl)pyridine;4-(3-methylbut-1-ynyl)pyridine;3-(3-methylbut-1-ynyl)thiophene;4-methyl-2-(3-methylbut-1-ynyl)pyrimidine;2-methylpropyl N-propan-2-ylcarbamate;(5-methyl-1H-pyrazol-3-yl)methyl N-propan-2-ylcarbamate;(4-methylpyrimidin-2-yl)methyl N-propan-2-ylcarbamate;(1-methyl-1,2,4-triazol-3-yl)methyl N-propan-2-ylcarbamate;propan-2-yl N-propan-2-ylcarbamate;spiro[2.4]heptan-6-yl N-propan-2-ylcarbamate.
What is the SMILES notation for 2,2-difluoropropyl N-propan-2-ylcarbamate;(1-fluorocyclopropyl)methyl N-propan-2-ylcarbamate;3-fluoro-2-(3-methylbut-1-ynyl)pyridine;(3-fluoro-3-methylcyclohexyl) N-propan-2-ylcarbamate;(3-fluoro-2-pyridinyl)methyl N-propan-2-ylcarbamate;3-(3-methylbut-1-ynyl)pyridine;4-(3-methylbut-1-ynyl)pyridine;3-(3-methylbut-1-ynyl)thiophene;4-methyl-2-(3-methylbut-1-ynyl)pyrimidine;2-methylpropyl N-propan-2-ylcarbamate;(5-methyl-1H-pyrazol-3-yl)methyl N-propan-2-ylcarbamate;(4-methylpyrimidin-2-yl)methyl N-propan-2-ylcarbamate;(1-methyl-1,2,4-triazol-3-yl)methyl N-propan-2-ylcarbamate;propan-2-yl N-propan-2-ylcarbamate;spiro[2.4]heptan-6-yl N-propan-2-ylcarbamate?
The canonical SMILES for 2,2-difluoropropyl N-propan-2-ylcarbamate;(1-fluorocyclopropyl)methyl N-propan-2-ylcarbamate;3-fluoro-2-(3-methylbut-1-ynyl)pyridine;(3-fluoro-3-methylcyclohexyl) N-propan-2-ylcarbamate;(3-fluoro-2-pyridinyl)methyl N-propan-2-ylcarbamate;3-(3-methylbut-1-ynyl)pyridine;4-(3-methylbut-1-ynyl)pyridine;3-(3-methylbut-1-ynyl)thiophene;4-methyl-2-(3-methylbut-1-ynyl)pyrimidine;2-methylpropyl N-propan-2-ylcarbamate;(5-methyl-1H-pyrazol-3-yl)methyl N-propan-2-ylcarbamate;(4-methylpyrimidin-2-yl)methyl N-propan-2-ylcarbamate;(1-methyl-1,2,4-triazol-3-yl)methyl N-propan-2-ylcarbamate;propan-2-yl N-propan-2-ylcarbamate;spiro[2.4]heptan-6-yl N-propan-2-ylcarbamate is CC(C)C#Cc1cccnc1.CC(C)C#Cc1ccncc1.CC(C)C#Cc1ccsc1.CC(C)C#Cc1ncccc1F.CC(C)COC(=O)NC(C)C.CC(C)NC(=O)OC(C)C.CC(C)NC(=O)OC1CCC2(CC2)C1.CC(C)NC(=O)OC1CCCC(C)(F)C1.CC(C)NC(=O)OCC(C)(F)F.CC(C)NC(=O)OCC1(F)CC1.CC(C)NC(=O)OCc1ncccc1F.CC(C)NC(=O)OCc1ncn(C)n1.Cc1cc(COC(=O)NC(C)C)n[nH]1.Cc1ccnc(C#CC(C)C)n1.Cc1ccnc(COC(=O)NC(C)C)n1.
What is the InChIKey of 2,2-difluoropropyl N-propan-2-ylcarbamate;(1-fluorocyclopropyl)methyl N-propan-2-ylcarbamate;3-fluoro-2-(3-methylbut-1-ynyl)pyridine;(3-fluoro-3-methylcyclohexyl) N-propan-2-ylcarbamate;(3-fluoro-2-pyridinyl)methyl N-propan-2-ylcarbamate;3-(3-methylbut-1-ynyl)pyridine;4-(3-methylbut-1-ynyl)pyridine;3-(3-methylbut-1-ynyl)thiophene;4-methyl-2-(3-methylbut-1-ynyl)pyrimidine;2-methylpropyl N-propan-2-ylcarbamate;(5-methyl-1H-pyrazol-3-yl)methyl N-propan-2-ylcarbamate;(4-methylpyrimidin-2-yl)methyl N-propan-2-ylcarbamate;(1-methyl-1,2,4-triazol-3-yl)methyl N-propan-2-ylcarbamate;propan-2-yl N-propan-2-ylcarbamate;spiro[2.4]heptan-6-yl N-propan-2-ylcarbamate?
The InChIKey is MUJWERCDCONKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNO2.C11H19NO2.C10H13FN2O2.C10H10FN.C10H15N3O2.C10H12N2.2C10H11N.C9H15N3O2.C9H10S.C8H14FNO2.C8H14N4O2.C8H17NO2.C7H13F2NO2.C7H15NO2/c1-8(2)13-10(14)15-9-5-4-6-11(3,12)7-9;1-8(2)12-10(13)14-9-3-4-11(7-9)5-6-11;1-7(2)13-10(14)15-6-9-8(11)4-3-5-12-9;1-8(2)5-6-10-9(11)4-3-7-12-10;1-7(2)12-10(14)15-6-9-11-5-4-8(3)13-9;1-8(2)4-5-10-11-7-6-9(3)12-10;1-9(2)3-4-10-5-7-11-8-6-10;1-9(2)5-6-10-4-3-7-11-8-10;1-6(2)10-9(13)14-5-8-4-7(3)11-12-8;1-8(2)3-4-9-5-6-10-7-9;1-6(2)10-7(11)12-5-8(9)3-4-8;1-6(2)10-8(13)14-4-7-9-5-12(3)11-7;1-6(2)5-11-8(10)9-7(3)4;1-5(2)10-6(11)12-4-7(3,8)9;1-5(2)8-7(9)10-6(3)4/h8-9H,4-7H2,1-3H3,(H,13,14);8-9H,3-7H2,1-2H3,(H,12,13);3-5,7H,6H2,1-2H3,(H,13,14);3-4,7-8H,1-2H3;4-5,7H,6H2,1-3H3,(H,12,14);6-8H,1-3H3;5-9H,1-2H3;3-4,7-9H,1-2H3;4,6H,5H2,1-3H3,(H,10,13)(H,11,12);5-8H,1-2H3;6H,3-5H2,1-2H3,(H,10,11);5-6H,4H2,1-3H3,(H,10,13);6-7H,5H2,1-4H3,(H,9,10);5H,4H2,1-3H3,(H,10,11);5-6H,1-4H3,(H,8,9).
What are the key properties of 2,2-difluoropropyl N-propan-2-ylcarbamate;(1-fluorocyclopropyl)methyl N-propan-2-ylcarbamate;3-fluoro-2-(3-methylbut-1-ynyl)pyridine;(3-fluoro-3-methylcyclohexyl) N-propan-2-ylcarbamate;(3-fluoro-2-pyridinyl)methyl N-propan-2-ylcarbamate;3-(3-methylbut-1-ynyl)pyridine;4-(3-methylbut-1-ynyl)pyridine;3-(3-methylbut-1-ynyl)thiophene;4-methyl-2-(3-methylbut-1-ynyl)pyrimidine;2-methylpropyl N-propan-2-ylcarbamate;(5-methyl-1H-pyrazol-3-yl)methyl N-propan-2-ylcarbamate;(4-methylpyrimidin-2-yl)methyl N-propan-2-ylcarbamate;(1-methyl-1,2,4-triazol-3-yl)methyl N-propan-2-ylcarbamate;propan-2-yl N-propan-2-ylcarbamate;spiro[2.4]heptan-6-yl N-propan-2-ylcarbamate?
2,2-difluoropropyl N-propan-2-ylcarbamate;(1-fluorocyclopropyl)methyl N-propan-2-ylcarbamate;3-fluoro-2-(3-methylbut-1-ynyl)pyridine;(3-fluoro-3-methylcyclohexyl) N-propan-2-ylcarbamate;(3-fluoro-2-pyridinyl)methyl N-propan-2-ylcarbamate;3-(3-methylbut-1-ynyl)pyridine;4-(3-methylbut-1-ynyl)pyridine;3-(3-methylbut-1-ynyl)thiophene;4-methyl-2-(3-methylbut-1-ynyl)pyrimidine;2-methylpropyl N-propan-2-ylcarbamate;(5-methyl-1H-pyrazol-3-yl)methyl N-propan-2-ylcarbamate;(4-methylpyrimidin-2-yl)methyl N-propan-2-ylcarbamate;(1-methyl-1,2,4-triazol-3-yl)methyl N-propan-2-ylcarbamate;propan-2-yl N-propan-2-ylcarbamate;spiro[2.4]heptan-6-yl N-propan-2-ylcarbamate has a molecular weight of 2656.39 g/mol, XLogP of 27.98, 27 rotatable bonds, 11 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoropropyl N-propan-2-ylcarbamate;(1-fluorocyclopropyl)methyl N-propan-2-ylcarbamate;3-fluoro-2-(3-methylbut-1-ynyl)pyridine;(3-fluoro-3-methylcyclohexyl) N-propan-2-ylcarbamate;(3-fluoro-2-pyridinyl)methyl N-propan-2-ylcarbamate;3-(3-methylbut-1-ynyl)pyridine;4-(3-methylbut-1-ynyl)pyridine;3-(3-methylbut-1-ynyl)thiophene;4-methyl-2-(3-methylbut-1-ynyl)pyrimidine;2-methylpropyl N-propan-2-ylcarbamate;(5-methyl-1H-pyrazol-3-yl)methyl N-propan-2-ylcarbamate;(4-methylpyrimidin-2-yl)methyl N-propan-2-ylcarbamate;(1-methyl-1,2,4-triazol-3-yl)methyl N-propan-2-ylcarbamate;propan-2-yl N-propan-2-ylcarbamate;spiro[2.4]heptan-6-yl N-propan-2-ylcarbamate is sourced from PubChem (CID 159674258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).