(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

C91H146F7N19O18 — CID 157236617

About (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

(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 (PubChem CID 157236617) has the molecular formula C91H146F7N19O18 and a molecular weight of 1927.27 g/mol. Its IUPAC name is (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.

Molecular Properties

• Compound Name: (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
• PubChem CID: 157236617
• Molecular Formula: C91H146F7N19O18
• Molecular Weight: 1927.27 g/mol
• Exact Mass: 1926.10
• IUPAC Name: (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
• SMILES: CC(C)NC(=O)OC(C)C.CC(C)NC(=O)OC1CC1(F)F.CC(C)NC(=O)OC1CCC(F)(F)C1.CC(C)NC(=O)OC1CCC2(CC2)C1.CC(C)NC(=O)OC1CCCC(F)(F)C1.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
• InChI: InChI=1S/C11H19NO2.C10H17F2NO2.C10H13FN2O2.C10H15N3O2.C10H12N2.C9H15F2NO2.C9H15N3O2.C8H14N4O2.C7H11F2NO2.C7H15NO2/c1-8(2)12-10(13)14-9-3-4-11(7-9)5-6-11;1-7(2)13-9(14)15-8-4-3-5-10(11,12)6-8;1-7(2)13-10(14)15-6-9-8(11)4-3-5-12-9;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;1-6(2)12-8(13)14-7-3-4-9(10,11)5-7;1-6(2)10-9(13)14-5-8-4-7(3)11-12-8;1-6(2)10-8(13)14-4-7-9-5-12(3)11-7;1-4(2)10-6(11)12-5-3-7(5,8)9;1-5(2)8-7(9)10-6(3)4/h8-9H,3-7H2,1-2H3,(H,12,13);7-8H,3-6H2,1-2H3,(H,13,14);3-5,7H,6H2,1-2H3,(H,13,14);4-5,7H,6H2,1-3H3,(H,12,14);6-8H,1-3H3;6-7H,3-5H2,1-2H3,(H,12,13);4,6H,5H2,1-3H3,(H,10,13)(H,11,12);5-6H,4H2,1-3H3,(H,10,13);4-5H,3H2,1-2H3,(H,10,11);5-6H,1-4H3,(H,8,9)
• InChIKey: AUSCWADCGZJKAE-UHFFFAOYSA-N
• XLogP: 17.39
• TPSA: 468.81 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 27
• Rotatable Bonds: 22
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1927.27
LogP ≤ 5	17.39
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (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?

The IUPAC name of (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) is (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.

What is the SMILES notation for (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?

The canonical SMILES for (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 is CC(C)NC(=O)OC(C)C.CC(C)NC(=O)OC1CC1(F)F.CC(C)NC(=O)OC1CCC(F)(F)C1.CC(C)NC(=O)OC1CCC2(CC2)C1.CC(C)NC(=O)OC1CCCC(F)(F)C1.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 (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?

The InChIKey is AUSCWADCGZJKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2.C10H17F2NO2.C10H13FN2O2.C10H15N3O2.C10H12N2.C9H15F2NO2.C9H15N3O2.C8H14N4O2.C7H11F2NO2.C7H15NO2/c1-8(2)12-10(13)14-9-3-4-11(7-9)5-6-11;1-7(2)13-9(14)15-8-4-3-5-10(11,12)6-8;1-7(2)13-10(14)15-6-9-8(11)4-3-5-12-9;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;1-6(2)12-8(13)14-7-3-4-9(10,11)5-7;1-6(2)10-9(13)14-5-8-4-7(3)11-12-8;1-6(2)10-8(13)14-4-7-9-5-12(3)11-7;1-4(2)10-6(11)12-5-3-7(5,8)9;1-5(2)8-7(9)10-6(3)4/h8-9H,3-7H2,1-2H3,(H,12,13);7-8H,3-6H2,1-2H3,(H,13,14);3-5,7H,6H2,1-2H3,(H,13,14);4-5,7H,6H2,1-3H3,(H,12,14);6-8H,1-3H3;6-7H,3-5H2,1-2H3,(H,12,13);4,6H,5H2,1-3H3,(H,10,13)(H,11,12);5-6H,4H2,1-3H3,(H,10,13);4-5H,3H2,1-2H3,(H,10,11);5-6H,1-4H3,(H,8,9).

What are the key properties of (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?

(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 has a molecular weight of 1927.27 g/mol, XLogP of 17.39, 22 rotatable bonds, 10 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for (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 is sourced from PubChem (CID 157236617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).