2-(6-fluoro-1H-indol-3-yl)-N,N-bis[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]ethanamine;2-(6-fluoro-1H-indol-3-yl)ethanamine;N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-1-[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methanimine;6-fluoro-3-[4-[3-(2,2,3,3-tetrafluoropropoxy)phenyl]butyl]-1H-indole;1-methyl-3-(2,2,3,3-tetrafluoropropoxy)benzene;3-(2,2,3,3-tetrafluoropropoxy)benzaldehyde

C101H93F28N7O7 — CID 158444619

IUPAC2-(6-fluoro-1H-indol-3-yl)-N,N-bis[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]ethanamine;2-(6-fluoro-1H-indol-3-yl)ethanamine;N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-1-[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methanimine;6-fluoro-3-[4-[3-(2,2,3,3-tetrafluoropropoxy)phenyl]butyl]-1H-indole;1-methyl-3-(2,2,3,3-tetrafluoropropoxy)benzene;3-(2,2,3,3-tetrafluoropropoxy)benzaldehyde
SMILESCc1cccc(OCC(F)(F)C(F)F)c1.Fc1ccc2c(CC/N=C/c3cccc(OCC(F)(F)C(F)F)c3)c[nH]c2c1.Fc1ccc2c(CCCCc3cccc(OCC(F)(F)C(F)F)c3)c[nH]c2c1.Fc1ccc2c(CCN(Cc3cccc(OCC(F)(F)C(F)F)c3)Cc3cccc(OCC(F)(F)C(F)F)c3)c[nH]c2c1.NCCc1c[nH]c2cc(F)ccc12.O=Cc1cccc(OCC(F)(F)C(F)F)c1
InChIInChI=1S/C30H27F9N2O2.C21H20F5NO.C20H17F5N2O.C10H8F4O2.C10H10F4O.C10H11FN2/c31-22-7-8-25-21(14-40-26(25)13-22)9-10-41(15-19-3-1-5-23(11-19)42-17-29(36,37)27(32)33)16-20-4-2-6-24(12-20)43-18-30(38,39)28(34)35;22-16-8-9-18-15(12-27-19(18)11-16)6-2-1-4-14-5-3-7-17(10-14)28-13-21(25,26)20(23)24;21-15-4-5-17-14(11-27-18(17)9-15)6-7-26-10-13-2-1-3-16(8-13)28-12-20(24,25)19(22)23;11-9(12)10(13,14)6-16-8-3-1-2-7(4-8)5-15;1-7-3-2-4-8(5-7)15-6-10(13,14)9(11)12;11-8-1-2-9-7(3-4-12)6-13-10(9)5-8/h1-8,11-14,27-28,40H,9-10,15-18H2;3,5,7-12,20,27H,1-2,4,6,13H2;1-5,8-11,19,27H,6-7,12H2;1-5,9H,6H2;2-5,9H,6H2,1H3;1-2,5-6,13H,3-4,12H2/b;;26-10+;;;
InChIKeyHDFVJXQVWWIHCX-FMGMUFPYSA-N
MW2048.84 g/mol
LogP27.37
Rot. Bonds43

About 2-(6-fluoro-1H-indol-3-yl)-N,N-bis[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]ethanamine;2-(6-fluoro-1H-indol-3-yl)ethanamine;N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-1-[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methanimine;6-fluoro-3-[4-[3-(2,2,3,3-tetrafluoropropoxy)phenyl]butyl]-1H-indole;1-methyl-3-(2,2,3,3-tetrafluoropropoxy)benzene;3-(2,2,3,3-tetrafluoropropoxy)benzaldehyde

2-(6-fluoro-1H-indol-3-yl)-N,N-bis[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]ethanamine;2-(6-fluoro-1H-indol-3-yl)ethanamine;N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-1-[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methanimine;6-fluoro-3-[4-[3-(2,2,3,3-tetrafluoropropoxy)phenyl]butyl]-1H-indole;1-methyl-3-(2,2,3,3-tetrafluoropropoxy)benzene;3-(2,2,3,3-tetrafluoropropoxy)benzaldehyde (PubChem CID 158444619) has the molecular formula C101H93F28N7O7 and a molecular weight of 2048.84 g/mol. Its IUPAC name is 2-(6-fluoro-1H-indol-3-yl)-N,N-bis[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]ethanamine;2-(6-fluoro-1H-indol-3-yl)ethanamine;N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-1-[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methanimine;6-fluoro-3-[4-[3-(2,2,3,3-tetrafluoropropoxy)phenyl]butyl]-1H-indole;1-methyl-3-(2,2,3,3-tetrafluoropropoxy)benzene;3-(2,2,3,3-tetrafluoropropoxy)benzaldehyde.

Molecular Properties

Compound Name2-(6-fluoro-1H-indol-3-yl)-N,N-bis[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]ethanamine;2-(6-fluoro-1H-indol-3-yl)ethanamine;N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-1-[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methanimine;6-fluoro-3-[4-[3-(2,2,3,3-tetrafluoropropoxy)phenyl]butyl]-1H-indole;1-methyl-3-(2,2,3,3-tetrafluoropropoxy)benzene;3-(2,2,3,3-tetrafluoropropoxy)benzaldehyde
PubChem CID158444619
Molecular FormulaC101H93F28N7O7
Molecular Weight2048.84 g/mol
Exact Mass2047.67
IUPAC Name2-(6-fluoro-1H-indol-3-yl)-N,N-bis[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]ethanamine;2-(6-fluoro-1H-indol-3-yl)ethanamine;N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-1-[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methanimine;6-fluoro-3-[4-[3-(2,2,3,3-tetrafluoropropoxy)phenyl]butyl]-1H-indole;1-methyl-3-(2,2,3,3-tetrafluoropropoxy)benzene;3-(2,2,3,3-tetrafluoropropoxy)benzaldehyde
SMILESCc1cccc(OCC(F)(F)C(F)F)c1.Fc1ccc2c(CC/N=C/c3cccc(OCC(F)(F)C(F)F)c3)c[nH]c2c1.Fc1ccc2c(CCCCc3cccc(OCC(F)(F)C(F)F)c3)c[nH]c2c1.Fc1ccc2c(CCN(Cc3cccc(OCC(F)(F)C(F)F)c3)Cc3cccc(OCC(F)(F)C(F)F)c3)c[nH]c2c1.NCCc1c[nH]c2cc(F)ccc12.O=Cc1cccc(OCC(F)(F)C(F)F)c1
InChIInChI=1S/C30H27F9N2O2.C21H20F5NO.C20H17F5N2O.C10H8F4O2.C10H10F4O.C10H11FN2/c31-22-7-8-25-21(14-40-26(25)13-22)9-10-41(15-19-3-1-5-23(11-19)42-17-29(36,37)27(32)33)16-20-4-2-6-24(12-20)43-18-30(38,39)28(34)35;22-16-8-9-18-15(12-27-19(18)11-16)6-2-1-4-14-5-3-7-17(10-14)28-13-21(25,26)20(23)24;21-15-4-5-17-14(11-27-18(17)9-15)6-7-26-10-13-2-1-3-16(8-13)28-12-20(24,25)19(22)23;11-9(12)10(13,14)6-16-8-3-1-2-7(4-8)5-15;1-7-3-2-4-8(5-7)15-6-10(13,14)9(11)12;11-8-1-2-9-7(3-4-12)6-13-10(9)5-8/h1-8,11-14,27-28,40H,9-10,15-18H2;3,5,7-12,20,27H,1-2,4,6,13H2;1-5,8-11,19,27H,6-7,12H2;1-5,9H,6H2;2-5,9H,6H2,1H3;1-2,5-6,13H,3-4,12H2/b;;26-10+;;;
InChIKeyHDFVJXQVWWIHCX-FMGMUFPYSA-N
XLogP27.37
TPSA177.23 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds43
Heavy Atoms143
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002048.84
LogP ≤ 527.37
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 2-(6-fluoro-1H-indol-3-yl)-N,N-bis[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]ethanamine;2-(6-fluoro-1H-indol-3-yl)ethanamine;N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-1-[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methanimine;6-fluoro-3-[4-[3-(2,2,3,3-tetrafluoropropoxy)phenyl]butyl]-1H-indole;1-methyl-3-(2,2,3,3-tetrafluoropropoxy)benzene;3-(2,2,3,3-tetrafluoropropoxy)benzaldehyde with MolForge

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Related Compounds

3-(1-(2-(5-fluorobenzofuran-3-yl)ethyl)-1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
CID 11164277
5-fluoro-3-(1-(2-(5-methoxybenzofuran-3-yl)ethyl)-1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
CID 11176778
5-fluoro-3-(1-(2-(5-fluorobenzofuran-3-yl)ethyl)-1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
CID 11188108
3-(1-(2-(benzofuran-3-yl)ethyl)-1,2,3,6-tetrahydropyridin-4-yl)-5-fluoro-1H-indole
CID 11245340
3-(1-(2-(benzofuran-3-yl)ethyl)-1,2,3,6-tetrahydropyridin-4-yl)-6-fluoro-1H-indole
CID 11428376
6-fluoro-3-(1-(2-(5-methoxybenzofuran-3-yl)ethyl)-1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
CID 11429231
5,5'-Terephthaloyldi(oxytryptamine) diacetate
CID 3040618
3-[[4-[bis(5-methoxy-1H-indol-3-yl)methyl]phenyl]-(5-methoxy-1H-indol-3-yl)methyl]-5-methoxy-1H-indole
CID 57326788
3-[[6-[bis(5-phenylmethoxy-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-phenylmethoxy-1H-indol-3-yl)methyl]-5-phenylmethoxy-1H-indole
CID 127035684
(E)-3-(1H-indol-3-yl)-1-(3-phenylmethoxyphenyl)prop-2-en-1-one
CID 171349643
(E)-3-(1H-indol-3-yl)-1-[4-[3-[4-[(E)-3-(1H-indol-3-yl)prop-2-enoyl]phenoxy]propoxy]phenyl]prop-2-en-1-one
CID 172451929
3-[1-[2-(1-benzofuran-3-yl)propyl]-3,6-dihydro-2H-pyridin-4-yl]-6-fluoro-1H-indole
CID 11749163

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-1H-indol-3-yl)-N,N-bis[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]ethanamine;2-(6-fluoro-1H-indol-3-yl)ethanamine;N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-1-[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methanimine;6-fluoro-3-[4-[3-(2,2,3,3-tetrafluoropropoxy)phenyl]butyl]-1H-indole;1-methyl-3-(2,2,3,3-tetrafluoropropoxy)benzene;3-(2,2,3,3-tetrafluoropropoxy)benzaldehyde?
The IUPAC name of 2-(6-fluoro-1H-indol-3-yl)-N,N-bis[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]ethanamine;2-(6-fluoro-1H-indol-3-yl)ethanamine;N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-1-[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methanimine;6-fluoro-3-[4-[3-(2,2,3,3-tetrafluoropropoxy)phenyl]butyl]-1H-indole;1-methyl-3-(2,2,3,3-tetrafluoropropoxy)benzene;3-(2,2,3,3-tetrafluoropropoxy)benzaldehyde (CID 158444619) is 2-(6-fluoro-1H-indol-3-yl)-N,N-bis[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]ethanamine;2-(6-fluoro-1H-indol-3-yl)ethanamine;N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-1-[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methanimine;6-fluoro-3-[4-[3-(2,2,3,3-tetrafluoropropoxy)phenyl]butyl]-1H-indole;1-methyl-3-(2,2,3,3-tetrafluoropropoxy)benzene;3-(2,2,3,3-tetrafluoropropoxy)benzaldehyde.
What is the SMILES notation for 2-(6-fluoro-1H-indol-3-yl)-N,N-bis[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]ethanamine;2-(6-fluoro-1H-indol-3-yl)ethanamine;N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-1-[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methanimine;6-fluoro-3-[4-[3-(2,2,3,3-tetrafluoropropoxy)phenyl]butyl]-1H-indole;1-methyl-3-(2,2,3,3-tetrafluoropropoxy)benzene;3-(2,2,3,3-tetrafluoropropoxy)benzaldehyde?
The canonical SMILES for 2-(6-fluoro-1H-indol-3-yl)-N,N-bis[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]ethanamine;2-(6-fluoro-1H-indol-3-yl)ethanamine;N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-1-[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methanimine;6-fluoro-3-[4-[3-(2,2,3,3-tetrafluoropropoxy)phenyl]butyl]-1H-indole;1-methyl-3-(2,2,3,3-tetrafluoropropoxy)benzene;3-(2,2,3,3-tetrafluoropropoxy)benzaldehyde is Cc1cccc(OCC(F)(F)C(F)F)c1.Fc1ccc2c(CC/N=C/c3cccc(OCC(F)(F)C(F)F)c3)c[nH]c2c1.Fc1ccc2c(CCCCc3cccc(OCC(F)(F)C(F)F)c3)c[nH]c2c1.Fc1ccc2c(CCN(Cc3cccc(OCC(F)(F)C(F)F)c3)Cc3cccc(OCC(F)(F)C(F)F)c3)c[nH]c2c1.NCCc1c[nH]c2cc(F)ccc12.O=Cc1cccc(OCC(F)(F)C(F)F)c1.
What is the InChIKey of 2-(6-fluoro-1H-indol-3-yl)-N,N-bis[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]ethanamine;2-(6-fluoro-1H-indol-3-yl)ethanamine;N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-1-[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methanimine;6-fluoro-3-[4-[3-(2,2,3,3-tetrafluoropropoxy)phenyl]butyl]-1H-indole;1-methyl-3-(2,2,3,3-tetrafluoropropoxy)benzene;3-(2,2,3,3-tetrafluoropropoxy)benzaldehyde?
The InChIKey is HDFVJXQVWWIHCX-FMGMUFPYSA-N. The full InChI is InChI=1S/C30H27F9N2O2.C21H20F5NO.C20H17F5N2O.C10H8F4O2.C10H10F4O.C10H11FN2/c31-22-7-8-25-21(14-40-26(25)13-22)9-10-41(15-19-3-1-5-23(11-19)42-17-29(36,37)27(32)33)16-20-4-2-6-24(12-20)43-18-30(38,39)28(34)35;22-16-8-9-18-15(12-27-19(18)11-16)6-2-1-4-14-5-3-7-17(10-14)28-13-21(25,26)20(23)24;21-15-4-5-17-14(11-27-18(17)9-15)6-7-26-10-13-2-1-3-16(8-13)28-12-20(24,25)19(22)23;11-9(12)10(13,14)6-16-8-3-1-2-7(4-8)5-15;1-7-3-2-4-8(5-7)15-6-10(13,14)9(11)12;11-8-1-2-9-7(3-4-12)6-13-10(9)5-8/h1-8,11-14,27-28,40H,9-10,15-18H2;3,5,7-12,20,27H,1-2,4,6,13H2;1-5,8-11,19,27H,6-7,12H2;1-5,9H,6H2;2-5,9H,6H2,1H3;1-2,5-6,13H,3-4,12H2/b;;26-10+;;;.
What are the key properties of 2-(6-fluoro-1H-indol-3-yl)-N,N-bis[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]ethanamine;2-(6-fluoro-1H-indol-3-yl)ethanamine;N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-1-[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methanimine;6-fluoro-3-[4-[3-(2,2,3,3-tetrafluoropropoxy)phenyl]butyl]-1H-indole;1-methyl-3-(2,2,3,3-tetrafluoropropoxy)benzene;3-(2,2,3,3-tetrafluoropropoxy)benzaldehyde?
2-(6-fluoro-1H-indol-3-yl)-N,N-bis[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]ethanamine;2-(6-fluoro-1H-indol-3-yl)ethanamine;N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-1-[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methanimine;6-fluoro-3-[4-[3-(2,2,3,3-tetrafluoropropoxy)phenyl]butyl]-1H-indole;1-methyl-3-(2,2,3,3-tetrafluoropropoxy)benzene;3-(2,2,3,3-tetrafluoropropoxy)benzaldehyde has a molecular weight of 2048.84 g/mol, XLogP of 27.37, 43 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-1H-indol-3-yl)-N,N-bis[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]ethanamine;2-(6-fluoro-1H-indol-3-yl)ethanamine;N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-1-[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methanimine;6-fluoro-3-[4-[3-(2,2,3,3-tetrafluoropropoxy)phenyl]butyl]-1H-indole;1-methyl-3-(2,2,3,3-tetrafluoropropoxy)benzene;3-(2,2,3,3-tetrafluoropropoxy)benzaldehyde is sourced from PubChem (CID 158444619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).