6-fluoro-1H-indole;2-(6-fluoro-1H-indol-3-yl)acetonitrile;1-(6-fluoro-1H-indol-3-yl)-N,N-dimethylmethanamine;2-(6-fluoro-1H-indol-3-yl)ethanamine;2-(6-fluoro-1H-indol-3-yl)-N-[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]ethanamine

C59H56F9N9O — CID 160946883

IUPAC6-fluoro-1H-indole;2-(6-fluoro-1H-indol-3-yl)acetonitrile;1-(6-fluoro-1H-indol-3-yl)-N,N-dimethylmethanamine;2-(6-fluoro-1H-indol-3-yl)ethanamine;2-(6-fluoro-1H-indol-3-yl)-N-[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]ethanamine
SMILESCN(C)Cc1c[nH]c2cc(F)ccc12.Fc1ccc2c(CCNCc3cccc(OCC(F)(F)C(F)F)c3)c[nH]c2c1.Fc1ccc2cc[nH]c2c1.N#CCc1c[nH]c2cc(F)ccc12.NCCc1c[nH]c2cc(F)ccc12
InChIInChI=1S/C20H19F5N2O.C11H13FN2.C10H11FN2.C10H7FN2.C8H6FN/c21-15-4-5-17-14(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;1-14(2)7-8-6-13-11-5-9(12)3-4-10(8)11;2*11-8-1-2-9-7(3-4-12)6-13-10(9)5-8;9-7-2-1-6-3-4-10-8(6)5-7/h1-5,8-9,11,19,26-27H,6-7,10,12H2;3-6,13H,7H2,1-2H3;1-2,5-6,13H,3-4,12H2;1-2,5-6,13H,3H2;1-5,10H
InChIKeySVFUKMSJXFQVCH-UHFFFAOYSA-N
MW1078.14 g/mol
LogP13.78
Rot. Bonds14

About 6-fluoro-1H-indole;2-(6-fluoro-1H-indol-3-yl)acetonitrile;1-(6-fluoro-1H-indol-3-yl)-N,N-dimethylmethanamine;2-(6-fluoro-1H-indol-3-yl)ethanamine;2-(6-fluoro-1H-indol-3-yl)-N-[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]ethanamine

6-fluoro-1H-indole;2-(6-fluoro-1H-indol-3-yl)acetonitrile;1-(6-fluoro-1H-indol-3-yl)-N,N-dimethylmethanamine;2-(6-fluoro-1H-indol-3-yl)ethanamine;2-(6-fluoro-1H-indol-3-yl)-N-[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]ethanamine (PubChem CID 160946883) has the molecular formula C59H56F9N9O and a molecular weight of 1078.14 g/mol. Its IUPAC name is 6-fluoro-1H-indole;2-(6-fluoro-1H-indol-3-yl)acetonitrile;1-(6-fluoro-1H-indol-3-yl)-N,N-dimethylmethanamine;2-(6-fluoro-1H-indol-3-yl)ethanamine;2-(6-fluoro-1H-indol-3-yl)-N-[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name6-fluoro-1H-indole;2-(6-fluoro-1H-indol-3-yl)acetonitrile;1-(6-fluoro-1H-indol-3-yl)-N,N-dimethylmethanamine;2-(6-fluoro-1H-indol-3-yl)ethanamine;2-(6-fluoro-1H-indol-3-yl)-N-[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]ethanamine
PubChem CID160946883
Molecular FormulaC59H56F9N9O
Molecular Weight1078.14 g/mol
Exact Mass1077.45
IUPAC Name6-fluoro-1H-indole;2-(6-fluoro-1H-indol-3-yl)acetonitrile;1-(6-fluoro-1H-indol-3-yl)-N,N-dimethylmethanamine;2-(6-fluoro-1H-indol-3-yl)ethanamine;2-(6-fluoro-1H-indol-3-yl)-N-[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]ethanamine
SMILESCN(C)Cc1c[nH]c2cc(F)ccc12.Fc1ccc2c(CCNCc3cccc(OCC(F)(F)C(F)F)c3)c[nH]c2c1.Fc1ccc2cc[nH]c2c1.N#CCc1c[nH]c2cc(F)ccc12.NCCc1c[nH]c2cc(F)ccc12
InChIInChI=1S/C20H19F5N2O.C11H13FN2.C10H11FN2.C10H7FN2.C8H6FN/c21-15-4-5-17-14(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;1-14(2)7-8-6-13-11-5-9(12)3-4-10(8)11;2*11-8-1-2-9-7(3-4-12)6-13-10(9)5-8;9-7-2-1-6-3-4-10-8(6)5-7/h1-5,8-9,11,19,26-27H,6-7,10,12H2;3-6,13H,7H2,1-2H3;1-2,5-6,13H,3-4,12H2;1-2,5-6,13H,3H2;1-5,10H
InChIKeySVFUKMSJXFQVCH-UHFFFAOYSA-N
XLogP13.78
TPSA153.26 Ų
H-Bond Donors7
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001078.14
LogP ≤ 513.78
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-fluoro-1H-indole;2-(6-fluoro-1H-indol-3-yl)acetonitrile;1-(6-fluoro-1H-indol-3-yl)-N,N-dimethylmethanamine;2-(6-fluoro-1H-indol-3-yl)ethanamine;2-(6-fluoro-1H-indol-3-yl)-N-[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]ethanamine with MolForge

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Related Compounds

Idalopirdine
CID 21071390
3-[[2-[2-[bis(1H-indol-3-yl)methyl]phenoxy]phenyl]-(1H-indol-3-yl)methyl]-1H-indole
CID 57326686
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-[[5-[bis(5-methoxy-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-methoxy-1H-indol-3-yl)methyl]-5-methoxy-1H-indole
CID 127035273
3-[[6-[bis(5-methoxy-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-methoxy-1H-indol-3-yl)methyl]-5-methoxy-1H-indole
CID 127035571
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
2-(6-Fluoro-1H-indol-3-yl)ethyl-3-(2,2,2-trifluoroethoxy)benzylamine
CID 58779122
2-(6-fluoro-1H-indol-3-yl)ethyl-[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]azanium
CID 59526590
4-[3-[2-[1-[2-(1H-indol-3-yl)ethyl]indol-3-yl]ethoxy]phenyl]-8-(trifluoromethyl)quinoline
CID 66914280
2-(5-fluoro-1H-indol-3-yl)-N-[[3-(4,4,4-trifluorobutoxy)phenyl]methyl]ethanamine
CID 69616847
2-(4-fluoro-1H-indol-3-yl)-N-methyl-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]ethanamine
CID 69616855
2-(5-fluoro-1H-indol-3-yl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]ethanamine
CID 69616869

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1H-indole;2-(6-fluoro-1H-indol-3-yl)acetonitrile;1-(6-fluoro-1H-indol-3-yl)-N,N-dimethylmethanamine;2-(6-fluoro-1H-indol-3-yl)ethanamine;2-(6-fluoro-1H-indol-3-yl)-N-[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]ethanamine?
The IUPAC name of 6-fluoro-1H-indole;2-(6-fluoro-1H-indol-3-yl)acetonitrile;1-(6-fluoro-1H-indol-3-yl)-N,N-dimethylmethanamine;2-(6-fluoro-1H-indol-3-yl)ethanamine;2-(6-fluoro-1H-indol-3-yl)-N-[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]ethanamine (CID 160946883) is 6-fluoro-1H-indole;2-(6-fluoro-1H-indol-3-yl)acetonitrile;1-(6-fluoro-1H-indol-3-yl)-N,N-dimethylmethanamine;2-(6-fluoro-1H-indol-3-yl)ethanamine;2-(6-fluoro-1H-indol-3-yl)-N-[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for 6-fluoro-1H-indole;2-(6-fluoro-1H-indol-3-yl)acetonitrile;1-(6-fluoro-1H-indol-3-yl)-N,N-dimethylmethanamine;2-(6-fluoro-1H-indol-3-yl)ethanamine;2-(6-fluoro-1H-indol-3-yl)-N-[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]ethanamine?
The canonical SMILES for 6-fluoro-1H-indole;2-(6-fluoro-1H-indol-3-yl)acetonitrile;1-(6-fluoro-1H-indol-3-yl)-N,N-dimethylmethanamine;2-(6-fluoro-1H-indol-3-yl)ethanamine;2-(6-fluoro-1H-indol-3-yl)-N-[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]ethanamine is CN(C)Cc1c[nH]c2cc(F)ccc12.Fc1ccc2c(CCNCc3cccc(OCC(F)(F)C(F)F)c3)c[nH]c2c1.Fc1ccc2cc[nH]c2c1.N#CCc1c[nH]c2cc(F)ccc12.NCCc1c[nH]c2cc(F)ccc12.
What is the InChIKey of 6-fluoro-1H-indole;2-(6-fluoro-1H-indol-3-yl)acetonitrile;1-(6-fluoro-1H-indol-3-yl)-N,N-dimethylmethanamine;2-(6-fluoro-1H-indol-3-yl)ethanamine;2-(6-fluoro-1H-indol-3-yl)-N-[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]ethanamine?
The InChIKey is SVFUKMSJXFQVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F5N2O.C11H13FN2.C10H11FN2.C10H7FN2.C8H6FN/c21-15-4-5-17-14(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;1-14(2)7-8-6-13-11-5-9(12)3-4-10(8)11;2*11-8-1-2-9-7(3-4-12)6-13-10(9)5-8;9-7-2-1-6-3-4-10-8(6)5-7/h1-5,8-9,11,19,26-27H,6-7,10,12H2;3-6,13H,7H2,1-2H3;1-2,5-6,13H,3-4,12H2;1-2,5-6,13H,3H2;1-5,10H.
What are the key properties of 6-fluoro-1H-indole;2-(6-fluoro-1H-indol-3-yl)acetonitrile;1-(6-fluoro-1H-indol-3-yl)-N,N-dimethylmethanamine;2-(6-fluoro-1H-indol-3-yl)ethanamine;2-(6-fluoro-1H-indol-3-yl)-N-[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]ethanamine?
6-fluoro-1H-indole;2-(6-fluoro-1H-indol-3-yl)acetonitrile;1-(6-fluoro-1H-indol-3-yl)-N,N-dimethylmethanamine;2-(6-fluoro-1H-indol-3-yl)ethanamine;2-(6-fluoro-1H-indol-3-yl)-N-[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]ethanamine has a molecular weight of 1078.14 g/mol, XLogP of 13.78, 14 rotatable bonds, 7 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1H-indole;2-(6-fluoro-1H-indol-3-yl)acetonitrile;1-(6-fluoro-1H-indol-3-yl)-N,N-dimethylmethanamine;2-(6-fluoro-1H-indol-3-yl)ethanamine;2-(6-fluoro-1H-indol-3-yl)-N-[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 160946883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).