1-(aminomethyl)-4,4-difluorocyclohexan-1-ol;1-(4-chloro-1H-indol-3-yl)-2,2,2-trifluoroethanone;4-chloro-1-(2,2,2-trifluoroethyl)indole-3-carboxylic acid;1-[4-chloro-1-(2,2,2-trifluoroethyl)indol-3-yl]-3-(4,4-difluoro-1-hydroxycyclohexyl)propan-1-one;1-[4-chloro-1-(2,2,2-trifluoroethyl)indol-3-yl]-2,2,2-trifluoroethanone;2,2,2-trifluoroethyl methanesulfonate;hydrochloride

C62H56Cl5F22N5O10S — CID 157162278

About 1-(aminomethyl)-4,4-difluorocyclohexan-1-ol;1-(4-chloro-1H-indol-3-yl)-2,2,2-trifluoroethanone;4-chloro-1-(2,2,2-trifluoroethyl)indole-3-carboxylic acid;1-[4-chloro-1-(2,2,2-trifluoroethyl)indol-3-yl]-3-(4,4-difluoro-1-hydroxycyclohexyl)propan-1-one;1-[4-chloro-1-(2,2,2-trifluoroethyl)indol-3-yl]-2,2,2-trifluoroethanone;2,2,2-trifluoroethyl methanesulfonate;hydrochloride

1-(aminomethyl)-4,4-difluorocyclohexan-1-ol;1-(4-chloro-1H-indol-3-yl)-2,2,2-trifluoroethanone;4-chloro-1-(2,2,2-trifluoroethyl)indole-3-carboxylic acid;1-[4-chloro-1-(2,2,2-trifluoroethyl)indol-3-yl]-3-(4,4-difluoro-1-hydroxycyclohexyl)propan-1-one;1-[4-chloro-1-(2,2,2-trifluoroethyl)indol-3-yl]-2,2,2-trifluoroethanone;2,2,2-trifluoroethyl methanesulfonate;hydrochloride (PubChem CID 157162278) has the molecular formula C62H56Cl5F22N5O10S and a molecular weight of 1658.44 g/mol. Its IUPAC name is 1-(aminomethyl)-4,4-difluorocyclohexan-1-ol;1-(4-chloro-1H-indol-3-yl)-2,2,2-trifluoroethanone;4-chloro-1-(2,2,2-trifluoroethyl)indole-3-carboxylic acid;1-[4-chloro-1-(2,2,2-trifluoroethyl)indol-3-yl]-3-(4,4-difluoro-1-hydroxycyclohexyl)propan-1-one;1-[4-chloro-1-(2,2,2-trifluoroethyl)indol-3-yl]-2,2,2-trifluoroethanone;2,2,2-trifluoroethyl methanesulfonate;hydrochloride.

Molecular Properties

• Compound Name: 1-(aminomethyl)-4,4-difluorocyclohexan-1-ol;1-(4-chloro-1H-indol-3-yl)-2,2,2-trifluoroethanone;4-chloro-1-(2,2,2-trifluoroethyl)indole-3-carboxylic acid;1-[4-chloro-1-(2,2,2-trifluoroethyl)indol-3-yl]-3-(4,4-difluoro-1-hydroxycyclohexyl)propan-1-one;1-[4-chloro-1-(2,2,2-trifluoroethyl)indol-3-yl]-2,2,2-trifluoroethanone;2,2,2-trifluoroethyl methanesulfonate;hydrochloride
• PubChem CID: 157162278
• Molecular Formula: C62H56Cl5F22N5O10S
• Molecular Weight: 1658.44 g/mol
• Exact Mass: 1655.18
• IUPAC Name: 1-(aminomethyl)-4,4-difluorocyclohexan-1-ol;1-(4-chloro-1H-indol-3-yl)-2,2,2-trifluoroethanone;4-chloro-1-(2,2,2-trifluoroethyl)indole-3-carboxylic acid;1-[4-chloro-1-(2,2,2-trifluoroethyl)indol-3-yl]-3-(4,4-difluoro-1-hydroxycyclohexyl)propan-1-one;1-[4-chloro-1-(2,2,2-trifluoroethyl)indol-3-yl]-2,2,2-trifluoroethanone;2,2,2-trifluoroethyl methanesulfonate;hydrochloride
• SMILES: CS(=O)(=O)OCC(F)(F)F.Cl.NCC1(O)CCC(F)(F)CC1.O=C(CCC1(O)CCC(F)(F)CC1)c1cn(CC(F)(F)F)c2cccc(Cl)c12.O=C(O)c1cn(CC(F)(F)F)c2cccc(Cl)c12.O=C(c1c[nH]c2cccc(Cl)c12)C(F)(F)F.O=C(c1cn(CC(F)(F)F)c2cccc(Cl)c12)C(F)(F)F
• InChI: InChI=1S/C19H19ClF5NO2.C12H6ClF6NO.C11H7ClF3NO2.C10H5ClF3NO.C7H13F2NO.C3H5F3O3S.ClH/c20-13-2-1-3-14-16(13)12(10-26(14)11-19(23,24)25)15(27)4-5-17(28)6-8-18(21,22)9-7-17;13-7-2-1-3-8-9(7)6(10(21)12(17,18)19)4-20(8)5-11(14,15)16;12-7-2-1-3-8-9(7)6(10(17)18)4-16(8)5-11(13,14)15;11-6-2-1-3-7-8(6)5(4-15-7)9(16)10(12,13)14;8-7(9)3-1-6(11,5-10)2-4-7;1-10(7,8)9-2-3(4,5)6;/h1-3,10,28H,4-9,11H2;1-4H,5H2;1-4H,5H2,(H,17,18);1-4,15H;11H,1-5,10H2;2H2,1H3;1H
• InChIKey: HRCKZXZABFATSI-UHFFFAOYSA-N
• XLogP: 19.32
• TPSA: 228.94 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 13
• Rotatable Bonds: 13
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1658.44
LogP ≤ 5	19.32
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-4,4-difluorocyclohexan-1-ol;1-(4-chloro-1H-indol-3-yl)-2,2,2-trifluoroethanone;4-chloro-1-(2,2,2-trifluoroethyl)indole-3-carboxylic acid;1-[4-chloro-1-(2,2,2-trifluoroethyl)indol-3-yl]-3-(4,4-difluoro-1-hydroxycyclohexyl)propan-1-one;1-[4-chloro-1-(2,2,2-trifluoroethyl)indol-3-yl]-2,2,2-trifluoroethanone;2,2,2-trifluoroethyl methanesulfonate;hydrochloride?

The IUPAC name of 1-(aminomethyl)-4,4-difluorocyclohexan-1-ol;1-(4-chloro-1H-indol-3-yl)-2,2,2-trifluoroethanone;4-chloro-1-(2,2,2-trifluoroethyl)indole-3-carboxylic acid;1-[4-chloro-1-(2,2,2-trifluoroethyl)indol-3-yl]-3-(4,4-difluoro-1-hydroxycyclohexyl)propan-1-one;1-[4-chloro-1-(2,2,2-trifluoroethyl)indol-3-yl]-2,2,2-trifluoroethanone;2,2,2-trifluoroethyl methanesulfonate;hydrochloride (CID 157162278) is 1-(aminomethyl)-4,4-difluorocyclohexan-1-ol;1-(4-chloro-1H-indol-3-yl)-2,2,2-trifluoroethanone;4-chloro-1-(2,2,2-trifluoroethyl)indole-3-carboxylic acid;1-[4-chloro-1-(2,2,2-trifluoroethyl)indol-3-yl]-3-(4,4-difluoro-1-hydroxycyclohexyl)propan-1-one;1-[4-chloro-1-(2,2,2-trifluoroethyl)indol-3-yl]-2,2,2-trifluoroethanone;2,2,2-trifluoroethyl methanesulfonate;hydrochloride.

What is the SMILES notation for 1-(aminomethyl)-4,4-difluorocyclohexan-1-ol;1-(4-chloro-1H-indol-3-yl)-2,2,2-trifluoroethanone;4-chloro-1-(2,2,2-trifluoroethyl)indole-3-carboxylic acid;1-[4-chloro-1-(2,2,2-trifluoroethyl)indol-3-yl]-3-(4,4-difluoro-1-hydroxycyclohexyl)propan-1-one;1-[4-chloro-1-(2,2,2-trifluoroethyl)indol-3-yl]-2,2,2-trifluoroethanone;2,2,2-trifluoroethyl methanesulfonate;hydrochloride?

The canonical SMILES for 1-(aminomethyl)-4,4-difluorocyclohexan-1-ol;1-(4-chloro-1H-indol-3-yl)-2,2,2-trifluoroethanone;4-chloro-1-(2,2,2-trifluoroethyl)indole-3-carboxylic acid;1-[4-chloro-1-(2,2,2-trifluoroethyl)indol-3-yl]-3-(4,4-difluoro-1-hydroxycyclohexyl)propan-1-one;1-[4-chloro-1-(2,2,2-trifluoroethyl)indol-3-yl]-2,2,2-trifluoroethanone;2,2,2-trifluoroethyl methanesulfonate;hydrochloride is CS(=O)(=O)OCC(F)(F)F.Cl.NCC1(O)CCC(F)(F)CC1.O=C(CCC1(O)CCC(F)(F)CC1)c1cn(CC(F)(F)F)c2cccc(Cl)c12.O=C(O)c1cn(CC(F)(F)F)c2cccc(Cl)c12.O=C(c1c[nH]c2cccc(Cl)c12)C(F)(F)F.O=C(c1cn(CC(F)(F)F)c2cccc(Cl)c12)C(F)(F)F.

What is the InChIKey of 1-(aminomethyl)-4,4-difluorocyclohexan-1-ol;1-(4-chloro-1H-indol-3-yl)-2,2,2-trifluoroethanone;4-chloro-1-(2,2,2-trifluoroethyl)indole-3-carboxylic acid;1-[4-chloro-1-(2,2,2-trifluoroethyl)indol-3-yl]-3-(4,4-difluoro-1-hydroxycyclohexyl)propan-1-one;1-[4-chloro-1-(2,2,2-trifluoroethyl)indol-3-yl]-2,2,2-trifluoroethanone;2,2,2-trifluoroethyl methanesulfonate;hydrochloride?

The InChIKey is HRCKZXZABFATSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClF5NO2.C12H6ClF6NO.C11H7ClF3NO2.C10H5ClF3NO.C7H13F2NO.C3H5F3O3S.ClH/c20-13-2-1-3-14-16(13)12(10-26(14)11-19(23,24)25)15(27)4-5-17(28)6-8-18(21,22)9-7-17;13-7-2-1-3-8-9(7)6(10(21)12(17,18)19)4-20(8)5-11(14,15)16;12-7-2-1-3-8-9(7)6(10(17)18)4-16(8)5-11(13,14)15;11-6-2-1-3-7-8(6)5(4-15-7)9(16)10(12,13)14;8-7(9)3-1-6(11,5-10)2-4-7;1-10(7,8)9-2-3(4,5)6;/h1-3,10,28H,4-9,11H2;1-4H,5H2;1-4H,5H2,(H,17,18);1-4,15H;11H,1-5,10H2;2H2,1H3;1H.

What are the key properties of 1-(aminomethyl)-4,4-difluorocyclohexan-1-ol;1-(4-chloro-1H-indol-3-yl)-2,2,2-trifluoroethanone;4-chloro-1-(2,2,2-trifluoroethyl)indole-3-carboxylic acid;1-[4-chloro-1-(2,2,2-trifluoroethyl)indol-3-yl]-3-(4,4-difluoro-1-hydroxycyclohexyl)propan-1-one;1-[4-chloro-1-(2,2,2-trifluoroethyl)indol-3-yl]-2,2,2-trifluoroethanone;2,2,2-trifluoroethyl methanesulfonate;hydrochloride?

1-(aminomethyl)-4,4-difluorocyclohexan-1-ol;1-(4-chloro-1H-indol-3-yl)-2,2,2-trifluoroethanone;4-chloro-1-(2,2,2-trifluoroethyl)indole-3-carboxylic acid;1-[4-chloro-1-(2,2,2-trifluoroethyl)indol-3-yl]-3-(4,4-difluoro-1-hydroxycyclohexyl)propan-1-one;1-[4-chloro-1-(2,2,2-trifluoroethyl)indol-3-yl]-2,2,2-trifluoroethanone;2,2,2-trifluoroethyl methanesulfonate;hydrochloride has a molecular weight of 1658.44 g/mol, XLogP of 19.32, 13 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(aminomethyl)-4,4-difluorocyclohexan-1-ol;1-(4-chloro-1H-indol-3-yl)-2,2,2-trifluoroethanone;4-chloro-1-(2,2,2-trifluoroethyl)indole-3-carboxylic acid;1-[4-chloro-1-(2,2,2-trifluoroethyl)indol-3-yl]-3-(4,4-difluoro-1-hydroxycyclohexyl)propan-1-one;1-[4-chloro-1-(2,2,2-trifluoroethyl)indol-3-yl]-2,2,2-trifluoroethanone;2,2,2-trifluoroethyl methanesulfonate;hydrochloride is sourced from PubChem (CID 157162278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).