ethyl N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]carbamate;ethyl N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]carbamate;ethyl N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]indol-5-yl]carbamate;ethyl N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-oxo-3,4-dihydroquinolin-6-yl]carbamate;N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-oxoquinolin-6-yl]acetamide

C107H96F30N10O16 — CID 158663281

About ethyl N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]carbamate;ethyl N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]carbamate;ethyl N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]indol-5-yl]carbamate;ethyl N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-oxo-3,4-dihydroquinolin-6-yl]carbamate;N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-oxoquinolin-6-yl]acetamide

ethyl N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]carbamate;ethyl N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]carbamate;ethyl N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]indol-5-yl]carbamate;ethyl N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-oxo-3,4-dihydroquinolin-6-yl]carbamate;N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-oxoquinolin-6-yl]acetamide (PubChem CID 158663281) has the molecular formula C107H96F30N10O16 and a molecular weight of 2347.94 g/mol. Its IUPAC name is ethyl N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]carbamate;ethyl N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]carbamate;ethyl N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]indol-5-yl]carbamate;ethyl N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-oxo-3,4-dihydroquinolin-6-yl]carbamate;N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-oxoquinolin-6-yl]acetamide.

Molecular Properties

• Compound Name: ethyl N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]carbamate;ethyl N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]carbamate;ethyl N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]indol-5-yl]carbamate;ethyl N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-oxo-3,4-dihydroquinolin-6-yl]carbamate;N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-oxoquinolin-6-yl]acetamide
• PubChem CID: 158663281
• Molecular Formula: C107H96F30N10O16
• Molecular Weight: 2347.94 g/mol
• Exact Mass: 2346.65
• IUPAC Name: ethyl N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]carbamate;ethyl N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]carbamate;ethyl N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]indol-5-yl]carbamate;ethyl N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-oxo-3,4-dihydroquinolin-6-yl]carbamate;N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-oxoquinolin-6-yl]acetamide
• SMILES: CC(=O)Nc1ccc2c(ccc(=O)n2Cc2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)c1.CCOC(=O)Nc1ccc2c(c1)CCC(=O)N2Cc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1.CCOC(=O)Nc1ccc2c(c1)CCCN2Cc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1.CCOC(=O)Nc1ccc2c(c1)CCN2Cc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1.CCOC(=O)Nc1ccc2c(ccn2Cc2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)c1
• InChI: InChI=1S/C22H20F6N2O4.C22H22F6N2O3.C21H16F6N2O3.C21H20F6N2O3.C21H18F6N2O3/c1-2-34-19(32)29-16-8-9-17-14(11-16)5-10-18(31)30(17)12-13-3-6-15(7-4-13)20(33,21(23,24)25)22(26,27)28;1-2-33-19(31)29-17-9-10-18-15(12-17)4-3-11-30(18)13-14-5-7-16(8-6-14)20(32,21(23,24)25)22(26,27)28;1-12(30)28-16-7-8-17-14(10-16)4-9-18(31)29(17)11-13-2-5-15(6-3-13)19(32,20(22,23)24)21(25,26)27;2*1-2-32-18(30)28-16-7-8-17-14(11-16)9-10-29(17)12-13-3-5-15(6-4-13)19(31,20(22,23)24)21(25,26)27/h3-4,6-9,11,33H,2,5,10,12H2,1H3,(H,29,32);5-10,12,32H,2-4,11,13H2,1H3,(H,29,31);2-10,32H,11H2,1H3,(H,28,30);3-8,11,31H,2,9-10,12H2,1H3,(H,28,30);3-11,31H,2,12H2,1H3,(H,28,30)
• InChIKey: IDAIFFXEWWTHTJ-UHFFFAOYSA-N
• XLogP: 25.59
• TPSA: 337.29 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 20
• Rotatable Bonds: 24
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2347.94
LogP ≤ 5	25.59
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]carbamate;ethyl N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]carbamate;ethyl N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]indol-5-yl]carbamate;ethyl N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-oxo-3,4-dihydroquinolin-6-yl]carbamate;N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-oxoquinolin-6-yl]acetamide?

The IUPAC name of ethyl N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]carbamate;ethyl N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]carbamate;ethyl N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]indol-5-yl]carbamate;ethyl N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-oxo-3,4-dihydroquinolin-6-yl]carbamate;N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-oxoquinolin-6-yl]acetamide (CID 158663281) is ethyl N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]carbamate;ethyl N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]carbamate;ethyl N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]indol-5-yl]carbamate;ethyl N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-oxo-3,4-dihydroquinolin-6-yl]carbamate;N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-oxoquinolin-6-yl]acetamide.

What is the SMILES notation for ethyl N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]carbamate;ethyl N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]carbamate;ethyl N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]indol-5-yl]carbamate;ethyl N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-oxo-3,4-dihydroquinolin-6-yl]carbamate;N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-oxoquinolin-6-yl]acetamide?

The canonical SMILES for ethyl N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]carbamate;ethyl N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]carbamate;ethyl N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]indol-5-yl]carbamate;ethyl N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-oxo-3,4-dihydroquinolin-6-yl]carbamate;N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-oxoquinolin-6-yl]acetamide is CC(=O)Nc1ccc2c(ccc(=O)n2Cc2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)c1.CCOC(=O)Nc1ccc2c(c1)CCC(=O)N2Cc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1.CCOC(=O)Nc1ccc2c(c1)CCCN2Cc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1.CCOC(=O)Nc1ccc2c(c1)CCN2Cc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1.CCOC(=O)Nc1ccc2c(ccn2Cc2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)c1.

What is the InChIKey of ethyl N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]carbamate;ethyl N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]carbamate;ethyl N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]indol-5-yl]carbamate;ethyl N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-oxo-3,4-dihydroquinolin-6-yl]carbamate;N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-oxoquinolin-6-yl]acetamide?

The InChIKey is IDAIFFXEWWTHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F6N2O4.C22H22F6N2O3.C21H16F6N2O3.C21H20F6N2O3.C21H18F6N2O3/c1-2-34-19(32)29-16-8-9-17-14(11-16)5-10-18(31)30(17)12-13-3-6-15(7-4-13)20(33,21(23,24)25)22(26,27)28;1-2-33-19(31)29-17-9-10-18-15(12-17)4-3-11-30(18)13-14-5-7-16(8-6-14)20(32,21(23,24)25)22(26,27)28;1-12(30)28-16-7-8-17-14(10-16)4-9-18(31)29(17)11-13-2-5-15(6-3-13)19(32,20(22,23)24)21(25,26)27;2*1-2-32-18(30)28-16-7-8-17-14(11-16)9-10-29(17)12-13-3-5-15(6-4-13)19(31,20(22,23)24)21(25,26)27/h3-4,6-9,11,33H,2,5,10,12H2,1H3,(H,29,32);5-10,12,32H,2-4,11,13H2,1H3,(H,29,31);2-10,32H,11H2,1H3,(H,28,30);3-8,11,31H,2,9-10,12H2,1H3,(H,28,30);3-11,31H,2,12H2,1H3,(H,28,30).

What are the key properties of ethyl N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]carbamate;ethyl N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]carbamate;ethyl N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]indol-5-yl]carbamate;ethyl N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-oxo-3,4-dihydroquinolin-6-yl]carbamate;N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-oxoquinolin-6-yl]acetamide?

ethyl N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]carbamate;ethyl N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]carbamate;ethyl N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]indol-5-yl]carbamate;ethyl N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-oxo-3,4-dihydroquinolin-6-yl]carbamate;N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-oxoquinolin-6-yl]acetamide has a molecular weight of 2347.94 g/mol, XLogP of 25.59, 24 rotatable bonds, 10 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]carbamate;ethyl N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]carbamate;ethyl N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]indol-5-yl]carbamate;ethyl N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-oxo-3,4-dihydroquinolin-6-yl]carbamate;N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-oxoquinolin-6-yl]acetamide is sourced from PubChem (CID 158663281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).