1-[(5-amino-1,3,3-trimethylcyclohexyl)methylamino]-3-(2-fluoroethoxy)propan-2-ol;1-[(5-amino-1,3,3-trimethylcyclohexyl)methylamino]-3-(fluoromethoxy)propan-2-ol;tetrakis([2-[difluoro(fluoromethoxy)methoxy]-1,1,2,2-tetrafluoroethyl] hypofluorite);2-(2-fluoroethoxycarbonylamino)ethyl 2-methylprop-2-enoate;2-(2-fluoroethoxymethyl)oxirane;2-fluoroethyl N-ethylcarbamate;2-(fluoromethoxycarbonylamino)ethyl 2-methylprop-2-enoate;2-(fluoromethoxymethyl)oxirane;fluoromethyl N-(3,3,5,5-tetramethylcyclohexyl)carbamate;methane

C104H206F40N8O32 — CID 160554083

About 1-[(5-amino-1,3,3-trimethylcyclohexyl)methylamino]-3-(2-fluoroethoxy)propan-2-ol;1-[(5-amino-1,3,3-trimethylcyclohexyl)methylamino]-3-(fluoromethoxy)propan-2-ol;tetrakis([2-[difluoro(fluoromethoxy)methoxy]-1,1,2,2-tetrafluoroethyl] hypofluorite);2-(2-fluoroethoxycarbonylamino)ethyl 2-methylprop-2-enoate;2-(2-fluoroethoxymethyl)oxirane;2-fluoroethyl N-ethylcarbamate;2-(fluoromethoxycarbonylamino)ethyl 2-methylprop-2-enoate;2-(fluoromethoxymethyl)oxirane;fluoromethyl N-(3,3,5,5-tetramethylcyclohexyl)carbamate;methane

1-[(5-amino-1,3,3-trimethylcyclohexyl)methylamino]-3-(2-fluoroethoxy)propan-2-ol;1-[(5-amino-1,3,3-trimethylcyclohexyl)methylamino]-3-(fluoromethoxy)propan-2-ol;tetrakis([2-[difluoro(fluoromethoxy)methoxy]-1,1,2,2-tetrafluoroethyl] hypofluorite);2-(2-fluoroethoxycarbonylamino)ethyl 2-methylprop-2-enoate;2-(2-fluoroethoxymethyl)oxirane;2-fluoroethyl N-ethylcarbamate;2-(fluoromethoxycarbonylamino)ethyl 2-methylprop-2-enoate;2-(fluoromethoxymethyl)oxirane;fluoromethyl N-(3,3,5,5-tetramethylcyclohexyl)carbamate;methane (PubChem CID 160554083) has the molecular formula C104H206F40N8O32 and a molecular weight of 2840.74 g/mol. Its IUPAC name is 1-[(5-amino-1,3,3-trimethylcyclohexyl)methylamino]-3-(2-fluoroethoxy)propan-2-ol;1-[(5-amino-1,3,3-trimethylcyclohexyl)methylamino]-3-(fluoromethoxy)propan-2-ol;tetrakis([2-[difluoro(fluoromethoxy)methoxy]-1,1,2,2-tetrafluoroethyl] hypofluorite);2-(2-fluoroethoxycarbonylamino)ethyl 2-methylprop-2-enoate;2-(2-fluoroethoxymethyl)oxirane;2-fluoroethyl N-ethylcarbamate;2-(fluoromethoxycarbonylamino)ethyl 2-methylprop-2-enoate;2-(fluoromethoxymethyl)oxirane;fluoromethyl N-(3,3,5,5-tetramethylcyclohexyl)carbamate;methane.

Molecular Properties

• Compound Name: 1-[(5-amino-1,3,3-trimethylcyclohexyl)methylamino]-3-(2-fluoroethoxy)propan-2-ol;1-[(5-amino-1,3,3-trimethylcyclohexyl)methylamino]-3-(fluoromethoxy)propan-2-ol;tetrakis([2-[difluoro(fluoromethoxy)methoxy]-1,1,2,2-tetrafluoroethyl] hypofluorite);2-(2-fluoroethoxycarbonylamino)ethyl 2-methylprop-2-enoate;2-(2-fluoroethoxymethyl)oxirane;2-fluoroethyl N-ethylcarbamate;2-(fluoromethoxycarbonylamino)ethyl 2-methylprop-2-enoate;2-(fluoromethoxymethyl)oxirane;fluoromethyl N-(3,3,5,5-tetramethylcyclohexyl)carbamate;methane
• PubChem CID: 160554083
• Molecular Formula: C104H206F40N8O32
• Molecular Weight: 2840.74 g/mol
• Exact Mass: 2839.41
• IUPAC Name: 1-[(5-amino-1,3,3-trimethylcyclohexyl)methylamino]-3-(2-fluoroethoxy)propan-2-ol;1-[(5-amino-1,3,3-trimethylcyclohexyl)methylamino]-3-(fluoromethoxy)propan-2-ol;tetrakis([2-[difluoro(fluoromethoxy)methoxy]-1,1,2,2-tetrafluoroethyl] hypofluorite);2-(2-fluoroethoxycarbonylamino)ethyl 2-methylprop-2-enoate;2-(2-fluoroethoxymethyl)oxirane;2-fluoroethyl N-ethylcarbamate;2-(fluoromethoxycarbonylamino)ethyl 2-methylprop-2-enoate;2-(fluoromethoxymethyl)oxirane;fluoromethyl N-(3,3,5,5-tetramethylcyclohexyl)carbamate;methane
• SMILES: C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C=C(C)C(=O)OCCNC(=O)OCCF.C=C(C)C(=O)OCCNC(=O)OCF.CC1(C)CC(N)CC(C)(CNCC(O)COCCF)C1.CC1(C)CC(N)CC(C)(CNCC(O)COCF)C1.CC1(C)CC(NC(=O)OCF)CC(C)(C)C1.CCNC(=O)OCCF.FCCOCC1CO1.FCOC(F)(F)OC(F)(F)C(F)(F)OF.FCOC(F)(F)OC(F)(F)C(F)(F)OF.FCOC(F)(F)OC(F)(F)C(F)(F)OF.FCOC(F)(F)OC(F)(F)C(F)(F)OF.FCOCC1CO1
• InChI: InChI=1S/C15H31FN2O2.C14H29FN2O2.C12H22FNO2.C9H14FNO4.C8H12FNO4.C5H10FNO2.C5H9FO2.4C4H2F8O3.C4H7FO2.16CH4/c1-14(2)6-12(17)7-15(3,10-14)11-18-8-13(19)9-20-5-4-16;1-13(2)4-11(16)5-14(3,8-13)9-17-6-12(18)7-19-10-15;1-11(2)5-9(6-12(3,4)7-11)14-10(15)16-8-13;1-7(2)8(12)14-6-4-11-9(13)15-5-3-10;1-6(2)7(11)13-4-3-10-8(12)14-5-9;1-2-7-5(8)9-4-3-6;6-1-2-7-3-5-4-8-5;4*5-1-13-4(10,11)14-2(6,7)3(8,9)15-12;5-3-6-1-4-2-7-4;;;;;;;;;;;;;;;;/h12-13,18-19H,4-11,17H2,1-3H3;11-12,17-18H,4-10,16H2,1-3H3;9H,5-8H2,1-4H3,(H,14,15);1,3-6H2,2H3,(H,11,13);1,3-5H2,2H3,(H,10,12);2-4H2,1H3,(H,7,8);5H,1-4H2;4*1H2;4H,1-3H2;16*1H4
• InChIKey: QYLKSVYGVMINNX-UHFFFAOYSA-N
• XLogP: 29.61
• TPSA: 495.22 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 36
• Rotatable Bonds: 62
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2840.74
LogP ≤ 5	29.61
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[(5-amino-1,3,3-trimethylcyclohexyl)methylamino]-3-(2-fluoroethoxy)propan-2-ol;1-[(5-amino-1,3,3-trimethylcyclohexyl)methylamino]-3-(fluoromethoxy)propan-2-ol;tetrakis([2-[difluoro(fluoromethoxy)methoxy]-1,1,2,2-tetrafluoroethyl] hypofluorite);2-(2-fluoroethoxycarbonylamino)ethyl 2-methylprop-2-enoate;2-(2-fluoroethoxymethyl)oxirane;2-fluoroethyl N-ethylcarbamate;2-(fluoromethoxycarbonylamino)ethyl 2-methylprop-2-enoate;2-(fluoromethoxymethyl)oxirane;fluoromethyl N-(3,3,5,5-tetramethylcyclohexyl)carbamate;methane?

The IUPAC name of 1-[(5-amino-1,3,3-trimethylcyclohexyl)methylamino]-3-(2-fluoroethoxy)propan-2-ol;1-[(5-amino-1,3,3-trimethylcyclohexyl)methylamino]-3-(fluoromethoxy)propan-2-ol;tetrakis([2-[difluoro(fluoromethoxy)methoxy]-1,1,2,2-tetrafluoroethyl] hypofluorite);2-(2-fluoroethoxycarbonylamino)ethyl 2-methylprop-2-enoate;2-(2-fluoroethoxymethyl)oxirane;2-fluoroethyl N-ethylcarbamate;2-(fluoromethoxycarbonylamino)ethyl 2-methylprop-2-enoate;2-(fluoromethoxymethyl)oxirane;fluoromethyl N-(3,3,5,5-tetramethylcyclohexyl)carbamate;methane (CID 160554083) is 1-[(5-amino-1,3,3-trimethylcyclohexyl)methylamino]-3-(2-fluoroethoxy)propan-2-ol;1-[(5-amino-1,3,3-trimethylcyclohexyl)methylamino]-3-(fluoromethoxy)propan-2-ol;tetrakis([2-[difluoro(fluoromethoxy)methoxy]-1,1,2,2-tetrafluoroethyl] hypofluorite);2-(2-fluoroethoxycarbonylamino)ethyl 2-methylprop-2-enoate;2-(2-fluoroethoxymethyl)oxirane;2-fluoroethyl N-ethylcarbamate;2-(fluoromethoxycarbonylamino)ethyl 2-methylprop-2-enoate;2-(fluoromethoxymethyl)oxirane;fluoromethyl N-(3,3,5,5-tetramethylcyclohexyl)carbamate;methane.

What is the SMILES notation for 1-[(5-amino-1,3,3-trimethylcyclohexyl)methylamino]-3-(2-fluoroethoxy)propan-2-ol;1-[(5-amino-1,3,3-trimethylcyclohexyl)methylamino]-3-(fluoromethoxy)propan-2-ol;tetrakis([2-[difluoro(fluoromethoxy)methoxy]-1,1,2,2-tetrafluoroethyl] hypofluorite);2-(2-fluoroethoxycarbonylamino)ethyl 2-methylprop-2-enoate;2-(2-fluoroethoxymethyl)oxirane;2-fluoroethyl N-ethylcarbamate;2-(fluoromethoxycarbonylamino)ethyl 2-methylprop-2-enoate;2-(fluoromethoxymethyl)oxirane;fluoromethyl N-(3,3,5,5-tetramethylcyclohexyl)carbamate;methane?

The canonical SMILES for 1-[(5-amino-1,3,3-trimethylcyclohexyl)methylamino]-3-(2-fluoroethoxy)propan-2-ol;1-[(5-amino-1,3,3-trimethylcyclohexyl)methylamino]-3-(fluoromethoxy)propan-2-ol;tetrakis([2-[difluoro(fluoromethoxy)methoxy]-1,1,2,2-tetrafluoroethyl] hypofluorite);2-(2-fluoroethoxycarbonylamino)ethyl 2-methylprop-2-enoate;2-(2-fluoroethoxymethyl)oxirane;2-fluoroethyl N-ethylcarbamate;2-(fluoromethoxycarbonylamino)ethyl 2-methylprop-2-enoate;2-(fluoromethoxymethyl)oxirane;fluoromethyl N-(3,3,5,5-tetramethylcyclohexyl)carbamate;methane is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C=C(C)C(=O)OCCNC(=O)OCCF.C=C(C)C(=O)OCCNC(=O)OCF.CC1(C)CC(N)CC(C)(CNCC(O)COCCF)C1.CC1(C)CC(N)CC(C)(CNCC(O)COCF)C1.CC1(C)CC(NC(=O)OCF)CC(C)(C)C1.CCNC(=O)OCCF.FCCOCC1CO1.FCOC(F)(F)OC(F)(F)C(F)(F)OF.FCOC(F)(F)OC(F)(F)C(F)(F)OF.FCOC(F)(F)OC(F)(F)C(F)(F)OF.FCOC(F)(F)OC(F)(F)C(F)(F)OF.FCOCC1CO1.

What is the InChIKey of 1-[(5-amino-1,3,3-trimethylcyclohexyl)methylamino]-3-(2-fluoroethoxy)propan-2-ol;1-[(5-amino-1,3,3-trimethylcyclohexyl)methylamino]-3-(fluoromethoxy)propan-2-ol;tetrakis([2-[difluoro(fluoromethoxy)methoxy]-1,1,2,2-tetrafluoroethyl] hypofluorite);2-(2-fluoroethoxycarbonylamino)ethyl 2-methylprop-2-enoate;2-(2-fluoroethoxymethyl)oxirane;2-fluoroethyl N-ethylcarbamate;2-(fluoromethoxycarbonylamino)ethyl 2-methylprop-2-enoate;2-(fluoromethoxymethyl)oxirane;fluoromethyl N-(3,3,5,5-tetramethylcyclohexyl)carbamate;methane?

The InChIKey is QYLKSVYGVMINNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31FN2O2.C14H29FN2O2.C12H22FNO2.C9H14FNO4.C8H12FNO4.C5H10FNO2.C5H9FO2.4C4H2F8O3.C4H7FO2.16CH4/c1-14(2)6-12(17)7-15(3,10-14)11-18-8-13(19)9-20-5-4-16;1-13(2)4-11(16)5-14(3,8-13)9-17-6-12(18)7-19-10-15;1-11(2)5-9(6-12(3,4)7-11)14-10(15)16-8-13;1-7(2)8(12)14-6-4-11-9(13)15-5-3-10;1-6(2)7(11)13-4-3-10-8(12)14-5-9;1-2-7-5(8)9-4-3-6;6-1-2-7-3-5-4-8-5;4*5-1-13-4(10,11)14-2(6,7)3(8,9)15-12;5-3-6-1-4-2-7-4;;;;;;;;;;;;;;;;/h12-13,18-19H,4-11,17H2,1-3H3;11-12,17-18H,4-10,16H2,1-3H3;9H,5-8H2,1-4H3,(H,14,15);1,3-6H2,2H3,(H,11,13);1,3-5H2,2H3,(H,10,12);2-4H2,1H3,(H,7,8);5H,1-4H2;4*1H2;4H,1-3H2;16*1H4.

What are the key properties of 1-[(5-amino-1,3,3-trimethylcyclohexyl)methylamino]-3-(2-fluoroethoxy)propan-2-ol;1-[(5-amino-1,3,3-trimethylcyclohexyl)methylamino]-3-(fluoromethoxy)propan-2-ol;tetrakis([2-[difluoro(fluoromethoxy)methoxy]-1,1,2,2-tetrafluoroethyl] hypofluorite);2-(2-fluoroethoxycarbonylamino)ethyl 2-methylprop-2-enoate;2-(2-fluoroethoxymethyl)oxirane;2-fluoroethyl N-ethylcarbamate;2-(fluoromethoxycarbonylamino)ethyl 2-methylprop-2-enoate;2-(fluoromethoxymethyl)oxirane;fluoromethyl N-(3,3,5,5-tetramethylcyclohexyl)carbamate;methane?

1-[(5-amino-1,3,3-trimethylcyclohexyl)methylamino]-3-(2-fluoroethoxy)propan-2-ol;1-[(5-amino-1,3,3-trimethylcyclohexyl)methylamino]-3-(fluoromethoxy)propan-2-ol;tetrakis([2-[difluoro(fluoromethoxy)methoxy]-1,1,2,2-tetrafluoroethyl] hypofluorite);2-(2-fluoroethoxycarbonylamino)ethyl 2-methylprop-2-enoate;2-(2-fluoroethoxymethyl)oxirane;2-fluoroethyl N-ethylcarbamate;2-(fluoromethoxycarbonylamino)ethyl 2-methylprop-2-enoate;2-(fluoromethoxymethyl)oxirane;fluoromethyl N-(3,3,5,5-tetramethylcyclohexyl)carbamate;methane has a molecular weight of 2840.74 g/mol, XLogP of 29.61, 62 rotatable bonds, 10 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(5-amino-1,3,3-trimethylcyclohexyl)methylamino]-3-(2-fluoroethoxy)propan-2-ol;1-[(5-amino-1,3,3-trimethylcyclohexyl)methylamino]-3-(fluoromethoxy)propan-2-ol;tetrakis([2-[difluoro(fluoromethoxy)methoxy]-1,1,2,2-tetrafluoroethyl] hypofluorite);2-(2-fluoroethoxycarbonylamino)ethyl 2-methylprop-2-enoate;2-(2-fluoroethoxymethyl)oxirane;2-fluoroethyl N-ethylcarbamate;2-(fluoromethoxycarbonylamino)ethyl 2-methylprop-2-enoate;2-(fluoromethoxymethyl)oxirane;fluoromethyl N-(3,3,5,5-tetramethylcyclohexyl)carbamate;methane is sourced from PubChem (CID 160554083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).