(Z)-N-tert-butyl-3-fluoro-2-methylbut-2-enamide;2-tert-butyloxirane;2-chloro-N-(3,3-dimethylbutyl)-N-methylacetamide;1-chloro-6,6-dimethylheptan-2-one;2-chloro-N-(2,2-dimethylpropyl)propanamide;(2S)-2-chloro-N-(2,2-dimethylpropyl)propanamide;(2R)-2-chloro-N-(2,2-dimethylpropyl)propanamide;1-(cyclobuten-1-yl)-4,4-dimethylpentan-1-one;1-(cyclohexen-1-yl)-4,4-dimethylpentan-1-one;1-(cyclopenten-1-yl)-4,4-dimethylpentan-1-one;6,6-dimethyl-3-methylidenehept-1-yn-4-ol;2-(2,2-dimethylpropyl)oxirane;N-(2,2-dimethylpropyl)-2-(trifluoromethyl)prop-2-enamide;ethyl 3-hydroxy-4,4-dimethyl-2-methylidenepentanoate;(Z)-5-fluoro-2,2-dimethylhex-4-en-3-one;3-hydroxy-4,4-dimethyl-2-methylidenepentanenitrile;methane

C146H263Cl5F5N7O18 — CID 157301534

About (Z)-N-tert-butyl-3-fluoro-2-methylbut-2-enamide;2-tert-butyloxirane;2-chloro-N-(3,3-dimethylbutyl)-N-methylacetamide;1-chloro-6,6-dimethylheptan-2-one;2-chloro-N-(2,2-dimethylpropyl)propanamide;(2S)-2-chloro-N-(2,2-dimethylpropyl)propanamide;(2R)-2-chloro-N-(2,2-dimethylpropyl)propanamide;1-(cyclobuten-1-yl)-4,4-dimethylpentan-1-one;1-(cyclohexen-1-yl)-4,4-dimethylpentan-1-one;1-(cyclopenten-1-yl)-4,4-dimethylpentan-1-one;6,6-dimethyl-3-methylidenehept-1-yn-4-ol;2-(2,2-dimethylpropyl)oxirane;N-(2,2-dimethylpropyl)-2-(trifluoromethyl)prop-2-enamide;ethyl 3-hydroxy-4,4-dimethyl-2-methylidenepentanoate;(Z)-5-fluoro-2,2-dimethylhex-4-en-3-one;3-hydroxy-4,4-dimethyl-2-methylidenepentanenitrile;methane

(Z)-N-tert-butyl-3-fluoro-2-methylbut-2-enamide;2-tert-butyloxirane;2-chloro-N-(3,3-dimethylbutyl)-N-methylacetamide;1-chloro-6,6-dimethylheptan-2-one;2-chloro-N-(2,2-dimethylpropyl)propanamide;(2S)-2-chloro-N-(2,2-dimethylpropyl)propanamide;(2R)-2-chloro-N-(2,2-dimethylpropyl)propanamide;1-(cyclobuten-1-yl)-4,4-dimethylpentan-1-one;1-(cyclohexen-1-yl)-4,4-dimethylpentan-1-one;1-(cyclopenten-1-yl)-4,4-dimethylpentan-1-one;6,6-dimethyl-3-methylidenehept-1-yn-4-ol;2-(2,2-dimethylpropyl)oxirane;N-(2,2-dimethylpropyl)-2-(trifluoromethyl)prop-2-enamide;ethyl 3-hydroxy-4,4-dimethyl-2-methylidenepentanoate;(Z)-5-fluoro-2,2-dimethylhex-4-en-3-one;3-hydroxy-4,4-dimethyl-2-methylidenepentanenitrile;methane (PubChem CID 157301534) has the molecular formula C146H263Cl5F5N7O18 and a molecular weight of 2677.00 g/mol. Its IUPAC name is (Z)-N-tert-butyl-3-fluoro-2-methylbut-2-enamide;2-tert-butyloxirane;2-chloro-N-(3,3-dimethylbutyl)-N-methylacetamide;1-chloro-6,6-dimethylheptan-2-one;2-chloro-N-(2,2-dimethylpropyl)propanamide;(2S)-2-chloro-N-(2,2-dimethylpropyl)propanamide;(2R)-2-chloro-N-(2,2-dimethylpropyl)propanamide;1-(cyclobuten-1-yl)-4,4-dimethylpentan-1-one;1-(cyclohexen-1-yl)-4,4-dimethylpentan-1-one;1-(cyclopenten-1-yl)-4,4-dimethylpentan-1-one;6,6-dimethyl-3-methylidenehept-1-yn-4-ol;2-(2,2-dimethylpropyl)oxirane;N-(2,2-dimethylpropyl)-2-(trifluoromethyl)prop-2-enamide;ethyl 3-hydroxy-4,4-dimethyl-2-methylidenepentanoate;(Z)-5-fluoro-2,2-dimethylhex-4-en-3-one;3-hydroxy-4,4-dimethyl-2-methylidenepentanenitrile;methane.

Molecular Properties

• Compound Name: (Z)-N-tert-butyl-3-fluoro-2-methylbut-2-enamide;2-tert-butyloxirane;2-chloro-N-(3,3-dimethylbutyl)-N-methylacetamide;1-chloro-6,6-dimethylheptan-2-one;2-chloro-N-(2,2-dimethylpropyl)propanamide;(2S)-2-chloro-N-(2,2-dimethylpropyl)propanamide;(2R)-2-chloro-N-(2,2-dimethylpropyl)propanamide;1-(cyclobuten-1-yl)-4,4-dimethylpentan-1-one;1-(cyclohexen-1-yl)-4,4-dimethylpentan-1-one;1-(cyclopenten-1-yl)-4,4-dimethylpentan-1-one;6,6-dimethyl-3-methylidenehept-1-yn-4-ol;2-(2,2-dimethylpropyl)oxirane;N-(2,2-dimethylpropyl)-2-(trifluoromethyl)prop-2-enamide;ethyl 3-hydroxy-4,4-dimethyl-2-methylidenepentanoate;(Z)-5-fluoro-2,2-dimethylhex-4-en-3-one;3-hydroxy-4,4-dimethyl-2-methylidenepentanenitrile;methane
• PubChem CID: 157301534
• Molecular Formula: C146H263Cl5F5N7O18
• Molecular Weight: 2677.00 g/mol
• Exact Mass: 2672.82
• IUPAC Name: (Z)-N-tert-butyl-3-fluoro-2-methylbut-2-enamide;2-tert-butyloxirane;2-chloro-N-(3,3-dimethylbutyl)-N-methylacetamide;1-chloro-6,6-dimethylheptan-2-one;2-chloro-N-(2,2-dimethylpropyl)propanamide;(2S)-2-chloro-N-(2,2-dimethylpropyl)propanamide;(2R)-2-chloro-N-(2,2-dimethylpropyl)propanamide;1-(cyclobuten-1-yl)-4,4-dimethylpentan-1-one;1-(cyclohexen-1-yl)-4,4-dimethylpentan-1-one;1-(cyclopenten-1-yl)-4,4-dimethylpentan-1-one;6,6-dimethyl-3-methylidenehept-1-yn-4-ol;2-(2,2-dimethylpropyl)oxirane;N-(2,2-dimethylpropyl)-2-(trifluoromethyl)prop-2-enamide;ethyl 3-hydroxy-4,4-dimethyl-2-methylidenepentanoate;(Z)-5-fluoro-2,2-dimethylhex-4-en-3-one;3-hydroxy-4,4-dimethyl-2-methylidenepentanenitrile;methane
• SMILES: C.C#CC(=C)C(O)CC(C)(C)C.C/C(F)=C(\C)C(=O)NC(C)(C)C.C/C(F)=C/C(=O)C(C)(C)C.C=C(C#N)C(O)C(C)(C)C.C=C(C(=O)NCC(C)(C)C)C(F)(F)F.C=C(C(=O)OCC)C(O)C(C)(C)C.CC(C)(C)C1CO1.CC(C)(C)CC1CO1.CC(C)(C)CCC(=O)C1=CCC1.CC(C)(C)CCC(=O)C1=CCCC1.CC(C)(C)CCC(=O)C1=CCCCC1.CC(C)(C)CCCC(=O)CCl.CC(Cl)C(=O)NCC(C)(C)C.CN(CCC(C)(C)C)C(=O)CCl.C[C@@H](Cl)C(=O)NCC(C)(C)C.C[C@H](Cl)C(=O)NCC(C)(C)C
• InChI: InChI=1S/C13H22O.C12H20O.C11H18O.C10H18O3.C10H16O.C9H18ClNO.C9H17ClO.C9H14F3NO.C9H16FNO.3C8H16ClNO.C8H13FO.C8H13NO.C7H14O.C6H12O.CH4/c1-13(2,3)10-9-12(14)11-7-5-4-6-8-11;1-12(2,3)9-8-11(13)10-6-4-5-7-10;1-11(2,3)8-7-10(12)9-5-4-6-9;1-6-13-9(12)7(2)8(11)10(3,4)5;1-6-8(2)9(11)7-10(3,4)5;1-9(2,3)5-6-11(4)8(12)7-10;1-9(2,3)6-4-5-8(11)7-10;1-6(9(10,11)12)7(14)13-5-8(2,3)4;1-6(7(2)10)8(12)11-9(3,4)5;3*1-6(9)7(11)10-5-8(2,3)4;1-6(9)5-7(10)8(2,3)4;1-6(5-9)7(10)8(2,3)4;1-7(2,3)4-6-5-8-6;1-6(2,3)5-4-7-5;/h7H,4-6,8-10H2,1-3H3;6H,4-5,7-9H2,1-3H3;5H,4,6-8H2,1-3H3;8,11H,2,6H2,1,3-5H3;1,9,11H,2,7H2,3-5H3;5-7H2,1-4H3;4-7H2,1-3H3;1,5H2,2-4H3,(H,13,14);1-5H3,(H,11,12);3*6H,5H2,1-4H3,(H,10,11);5H,1-4H3;7,10H,1H2,2-4H3;6H,4-5H2,1-3H3;5H,4H2,1-3H3;1H4/b;;;;;;;;7-6-;;;;6-5-;;;;/t;;;;;;;;;2*6-;;;;;;/m.........10....../s1
• InChIKey: BBYORVYRLDLIQI-HTOGTUQWSA-N
• XLogP: 36.69
• TPSA: 387.00 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 19
• Rotatable Bonds: 33
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2677.00
LogP ≤ 5	36.69
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (Z)-N-tert-butyl-3-fluoro-2-methylbut-2-enamide;2-tert-butyloxirane;2-chloro-N-(3,3-dimethylbutyl)-N-methylacetamide;1-chloro-6,6-dimethylheptan-2-one;2-chloro-N-(2,2-dimethylpropyl)propanamide;(2S)-2-chloro-N-(2,2-dimethylpropyl)propanamide;(2R)-2-chloro-N-(2,2-dimethylpropyl)propanamide;1-(cyclobuten-1-yl)-4,4-dimethylpentan-1-one;1-(cyclohexen-1-yl)-4,4-dimethylpentan-1-one;1-(cyclopenten-1-yl)-4,4-dimethylpentan-1-one;6,6-dimethyl-3-methylidenehept-1-yn-4-ol;2-(2,2-dimethylpropyl)oxirane;N-(2,2-dimethylpropyl)-2-(trifluoromethyl)prop-2-enamide;ethyl 3-hydroxy-4,4-dimethyl-2-methylidenepentanoate;(Z)-5-fluoro-2,2-dimethylhex-4-en-3-one;3-hydroxy-4,4-dimethyl-2-methylidenepentanenitrile;methane?

The IUPAC name of (Z)-N-tert-butyl-3-fluoro-2-methylbut-2-enamide;2-tert-butyloxirane;2-chloro-N-(3,3-dimethylbutyl)-N-methylacetamide;1-chloro-6,6-dimethylheptan-2-one;2-chloro-N-(2,2-dimethylpropyl)propanamide;(2S)-2-chloro-N-(2,2-dimethylpropyl)propanamide;(2R)-2-chloro-N-(2,2-dimethylpropyl)propanamide;1-(cyclobuten-1-yl)-4,4-dimethylpentan-1-one;1-(cyclohexen-1-yl)-4,4-dimethylpentan-1-one;1-(cyclopenten-1-yl)-4,4-dimethylpentan-1-one;6,6-dimethyl-3-methylidenehept-1-yn-4-ol;2-(2,2-dimethylpropyl)oxirane;N-(2,2-dimethylpropyl)-2-(trifluoromethyl)prop-2-enamide;ethyl 3-hydroxy-4,4-dimethyl-2-methylidenepentanoate;(Z)-5-fluoro-2,2-dimethylhex-4-en-3-one;3-hydroxy-4,4-dimethyl-2-methylidenepentanenitrile;methane (CID 157301534) is (Z)-N-tert-butyl-3-fluoro-2-methylbut-2-enamide;2-tert-butyloxirane;2-chloro-N-(3,3-dimethylbutyl)-N-methylacetamide;1-chloro-6,6-dimethylheptan-2-one;2-chloro-N-(2,2-dimethylpropyl)propanamide;(2S)-2-chloro-N-(2,2-dimethylpropyl)propanamide;(2R)-2-chloro-N-(2,2-dimethylpropyl)propanamide;1-(cyclobuten-1-yl)-4,4-dimethylpentan-1-one;1-(cyclohexen-1-yl)-4,4-dimethylpentan-1-one;1-(cyclopenten-1-yl)-4,4-dimethylpentan-1-one;6,6-dimethyl-3-methylidenehept-1-yn-4-ol;2-(2,2-dimethylpropyl)oxirane;N-(2,2-dimethylpropyl)-2-(trifluoromethyl)prop-2-enamide;ethyl 3-hydroxy-4,4-dimethyl-2-methylidenepentanoate;(Z)-5-fluoro-2,2-dimethylhex-4-en-3-one;3-hydroxy-4,4-dimethyl-2-methylidenepentanenitrile;methane.

What is the SMILES notation for (Z)-N-tert-butyl-3-fluoro-2-methylbut-2-enamide;2-tert-butyloxirane;2-chloro-N-(3,3-dimethylbutyl)-N-methylacetamide;1-chloro-6,6-dimethylheptan-2-one;2-chloro-N-(2,2-dimethylpropyl)propanamide;(2S)-2-chloro-N-(2,2-dimethylpropyl)propanamide;(2R)-2-chloro-N-(2,2-dimethylpropyl)propanamide;1-(cyclobuten-1-yl)-4,4-dimethylpentan-1-one;1-(cyclohexen-1-yl)-4,4-dimethylpentan-1-one;1-(cyclopenten-1-yl)-4,4-dimethylpentan-1-one;6,6-dimethyl-3-methylidenehept-1-yn-4-ol;2-(2,2-dimethylpropyl)oxirane;N-(2,2-dimethylpropyl)-2-(trifluoromethyl)prop-2-enamide;ethyl 3-hydroxy-4,4-dimethyl-2-methylidenepentanoate;(Z)-5-fluoro-2,2-dimethylhex-4-en-3-one;3-hydroxy-4,4-dimethyl-2-methylidenepentanenitrile;methane?

The canonical SMILES for (Z)-N-tert-butyl-3-fluoro-2-methylbut-2-enamide;2-tert-butyloxirane;2-chloro-N-(3,3-dimethylbutyl)-N-methylacetamide;1-chloro-6,6-dimethylheptan-2-one;2-chloro-N-(2,2-dimethylpropyl)propanamide;(2S)-2-chloro-N-(2,2-dimethylpropyl)propanamide;(2R)-2-chloro-N-(2,2-dimethylpropyl)propanamide;1-(cyclobuten-1-yl)-4,4-dimethylpentan-1-one;1-(cyclohexen-1-yl)-4,4-dimethylpentan-1-one;1-(cyclopenten-1-yl)-4,4-dimethylpentan-1-one;6,6-dimethyl-3-methylidenehept-1-yn-4-ol;2-(2,2-dimethylpropyl)oxirane;N-(2,2-dimethylpropyl)-2-(trifluoromethyl)prop-2-enamide;ethyl 3-hydroxy-4,4-dimethyl-2-methylidenepentanoate;(Z)-5-fluoro-2,2-dimethylhex-4-en-3-one;3-hydroxy-4,4-dimethyl-2-methylidenepentanenitrile;methane is C.C#CC(=C)C(O)CC(C)(C)C.C/C(F)=C(\C)C(=O)NC(C)(C)C.C/C(F)=C/C(=O)C(C)(C)C.C=C(C#N)C(O)C(C)(C)C.C=C(C(=O)NCC(C)(C)C)C(F)(F)F.C=C(C(=O)OCC)C(O)C(C)(C)C.CC(C)(C)C1CO1.CC(C)(C)CC1CO1.CC(C)(C)CCC(=O)C1=CCC1.CC(C)(C)CCC(=O)C1=CCCC1.CC(C)(C)CCC(=O)C1=CCCCC1.CC(C)(C)CCCC(=O)CCl.CC(Cl)C(=O)NCC(C)(C)C.CN(CCC(C)(C)C)C(=O)CCl.C[C@@H](Cl)C(=O)NCC(C)(C)C.C[C@H](Cl)C(=O)NCC(C)(C)C.

What is the InChIKey of (Z)-N-tert-butyl-3-fluoro-2-methylbut-2-enamide;2-tert-butyloxirane;2-chloro-N-(3,3-dimethylbutyl)-N-methylacetamide;1-chloro-6,6-dimethylheptan-2-one;2-chloro-N-(2,2-dimethylpropyl)propanamide;(2S)-2-chloro-N-(2,2-dimethylpropyl)propanamide;(2R)-2-chloro-N-(2,2-dimethylpropyl)propanamide;1-(cyclobuten-1-yl)-4,4-dimethylpentan-1-one;1-(cyclohexen-1-yl)-4,4-dimethylpentan-1-one;1-(cyclopenten-1-yl)-4,4-dimethylpentan-1-one;6,6-dimethyl-3-methylidenehept-1-yn-4-ol;2-(2,2-dimethylpropyl)oxirane;N-(2,2-dimethylpropyl)-2-(trifluoromethyl)prop-2-enamide;ethyl 3-hydroxy-4,4-dimethyl-2-methylidenepentanoate;(Z)-5-fluoro-2,2-dimethylhex-4-en-3-one;3-hydroxy-4,4-dimethyl-2-methylidenepentanenitrile;methane?

The InChIKey is BBYORVYRLDLIQI-HTOGTUQWSA-N. The full InChI is InChI=1S/C13H22O.C12H20O.C11H18O.C10H18O3.C10H16O.C9H18ClNO.C9H17ClO.C9H14F3NO.C9H16FNO.3C8H16ClNO.C8H13FO.C8H13NO.C7H14O.C6H12O.CH4/c1-13(2,3)10-9-12(14)11-7-5-4-6-8-11;1-12(2,3)9-8-11(13)10-6-4-5-7-10;1-11(2,3)8-7-10(12)9-5-4-6-9;1-6-13-9(12)7(2)8(11)10(3,4)5;1-6-8(2)9(11)7-10(3,4)5;1-9(2,3)5-6-11(4)8(12)7-10;1-9(2,3)6-4-5-8(11)7-10;1-6(9(10,11)12)7(14)13-5-8(2,3)4;1-6(7(2)10)8(12)11-9(3,4)5;3*1-6(9)7(11)10-5-8(2,3)4;1-6(9)5-7(10)8(2,3)4;1-6(5-9)7(10)8(2,3)4;1-7(2,3)4-6-5-8-6;1-6(2,3)5-4-7-5;/h7H,4-6,8-10H2,1-3H3;6H,4-5,7-9H2,1-3H3;5H,4,6-8H2,1-3H3;8,11H,2,6H2,1,3-5H3;1,9,11H,2,7H2,3-5H3;5-7H2,1-4H3;4-7H2,1-3H3;1,5H2,2-4H3,(H,13,14);1-5H3,(H,11,12);3*6H,5H2,1-4H3,(H,10,11);5H,1-4H3;7,10H,1H2,2-4H3;6H,4-5H2,1-3H3;5H,4H2,1-3H3;1H4/b;;;;;;;;7-6-;;;;6-5-;;;;/t;;;;;;;;;2*6-;;;;;;/m.........10....../s1.

What are the key properties of (Z)-N-tert-butyl-3-fluoro-2-methylbut-2-enamide;2-tert-butyloxirane;2-chloro-N-(3,3-dimethylbutyl)-N-methylacetamide;1-chloro-6,6-dimethylheptan-2-one;2-chloro-N-(2,2-dimethylpropyl)propanamide;(2S)-2-chloro-N-(2,2-dimethylpropyl)propanamide;(2R)-2-chloro-N-(2,2-dimethylpropyl)propanamide;1-(cyclobuten-1-yl)-4,4-dimethylpentan-1-one;1-(cyclohexen-1-yl)-4,4-dimethylpentan-1-one;1-(cyclopenten-1-yl)-4,4-dimethylpentan-1-one;6,6-dimethyl-3-methylidenehept-1-yn-4-ol;2-(2,2-dimethylpropyl)oxirane;N-(2,2-dimethylpropyl)-2-(trifluoromethyl)prop-2-enamide;ethyl 3-hydroxy-4,4-dimethyl-2-methylidenepentanoate;(Z)-5-fluoro-2,2-dimethylhex-4-en-3-one;3-hydroxy-4,4-dimethyl-2-methylidenepentanenitrile;methane?

(Z)-N-tert-butyl-3-fluoro-2-methylbut-2-enamide;2-tert-butyloxirane;2-chloro-N-(3,3-dimethylbutyl)-N-methylacetamide;1-chloro-6,6-dimethylheptan-2-one;2-chloro-N-(2,2-dimethylpropyl)propanamide;(2S)-2-chloro-N-(2,2-dimethylpropyl)propanamide;(2R)-2-chloro-N-(2,2-dimethylpropyl)propanamide;1-(cyclobuten-1-yl)-4,4-dimethylpentan-1-one;1-(cyclohexen-1-yl)-4,4-dimethylpentan-1-one;1-(cyclopenten-1-yl)-4,4-dimethylpentan-1-one;6,6-dimethyl-3-methylidenehept-1-yn-4-ol;2-(2,2-dimethylpropyl)oxirane;N-(2,2-dimethylpropyl)-2-(trifluoromethyl)prop-2-enamide;ethyl 3-hydroxy-4,4-dimethyl-2-methylidenepentanoate;(Z)-5-fluoro-2,2-dimethylhex-4-en-3-one;3-hydroxy-4,4-dimethyl-2-methylidenepentanenitrile;methane has a molecular weight of 2677.00 g/mol, XLogP of 36.69, 33 rotatable bonds, 8 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-N-tert-butyl-3-fluoro-2-methylbut-2-enamide;2-tert-butyloxirane;2-chloro-N-(3,3-dimethylbutyl)-N-methylacetamide;1-chloro-6,6-dimethylheptan-2-one;2-chloro-N-(2,2-dimethylpropyl)propanamide;(2S)-2-chloro-N-(2,2-dimethylpropyl)propanamide;(2R)-2-chloro-N-(2,2-dimethylpropyl)propanamide;1-(cyclobuten-1-yl)-4,4-dimethylpentan-1-one;1-(cyclohexen-1-yl)-4,4-dimethylpentan-1-one;1-(cyclopenten-1-yl)-4,4-dimethylpentan-1-one;6,6-dimethyl-3-methylidenehept-1-yn-4-ol;2-(2,2-dimethylpropyl)oxirane;N-(2,2-dimethylpropyl)-2-(trifluoromethyl)prop-2-enamide;ethyl 3-hydroxy-4,4-dimethyl-2-methylidenepentanoate;(Z)-5-fluoro-2,2-dimethylhex-4-en-3-one;3-hydroxy-4,4-dimethyl-2-methylidenepentanenitrile;methane is sourced from PubChem (CID 157301534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).