5-[(2,6-difluorophenyl)methyl]-8-methyl-5a,9a,9b,10-tetrahydro-4bH-indeno[1,2-b]indole

C23H21F2N — CID 140876098

IUPAC5-[(2,6-difluorophenyl)methyl]-8-methyl-5a,9a,9b,10-tetrahydro-4bH-indeno[1,2-b]indole
SMILESCC1=CC2C3Cc4ccccc4C3N(Cc3c(F)cccc3F)C2C=C1
InChIInChI=1S/C23H21F2N/c1-14-9-10-22-17(11-14)18-12-15-5-2-3-6-16(15)23(18)26(22)13-19-20(24)7-4-8-21(19)25/h2-11,17-18,22-23H,12-13H2,1H3
InChIKeyWURUPOWHXGQMGR-UHFFFAOYSA-N
MW349.42 g/mol
LogP5.19
Rot. Bonds2

About 5-[(2,6-difluorophenyl)methyl]-8-methyl-5a,9a,9b,10-tetrahydro-4bH-indeno[1,2-b]indole

5-[(2,6-difluorophenyl)methyl]-8-methyl-5a,9a,9b,10-tetrahydro-4bH-indeno[1,2-b]indole (PubChem CID 140876098) has the molecular formula C23H21F2N and a molecular weight of 349.42 g/mol. Its IUPAC name is 5-[(2,6-difluorophenyl)methyl]-8-methyl-5a,9a,9b,10-tetrahydro-4bH-indeno[1,2-b]indole.

Molecular Properties

Compound Name5-[(2,6-difluorophenyl)methyl]-8-methyl-5a,9a,9b,10-tetrahydro-4bH-indeno[1,2-b]indole
PubChem CID140876098
Molecular FormulaC23H21F2N
Molecular Weight349.42 g/mol
Exact Mass349.16
IUPAC Name5-[(2,6-difluorophenyl)methyl]-8-methyl-5a,9a,9b,10-tetrahydro-4bH-indeno[1,2-b]indole
SMILESCC1=CC2C3Cc4ccccc4C3N(Cc3c(F)cccc3F)C2C=C1
InChIInChI=1S/C23H21F2N/c1-14-9-10-22-17(11-14)18-12-15-5-2-3-6-16(15)23(18)26(22)13-19-20(24)7-4-8-21(19)25/h2-11,17-18,22-23H,12-13H2,1H3
InChIKeyWURUPOWHXGQMGR-UHFFFAOYSA-N
XLogP5.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.42
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-[(2,6-difluorophenyl)methyl]-8-methyl-5a,9a,9b,10-tetrahydro-4bH-indeno[1,2-b]indole with MolForge

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Related Compounds

Dimefadane
CID 21760
1H-Indeno(1,2-b)pyridine, 2,3,4,4a,5,9b-hexahydro-1-methyl-5-phenyl-, (-)-
CID 3065151
1H-Indeno(1,2-b)pyridine, 2,3,4,4a,5,9b-hexahydro-1-methyl-5-phenyl-, (+)-
CID 3065150
4-[6-Fluoro-3-(4-fluoro-phenyl)-indan-1-yl]-1,2,2-trimethyl-piperazine
CID 10522247
1H-Indeno(1,2-b)pyridine, 2,3,4,4a,5,9b-hexahydro-5-phenyl-1-propyl-, (4a-alpha,5-alpha,9b-alpha)-
CID 55875
2,4-Difluoro-10-(2-N,N-dimethylaminoethyl)isoindolo[2,1-a]indole (27)
CID 129012327
Dimefadane hydrochloride
CID 517910
4-[3-(4-Fluoro-phenyl)-indan-1-yl]-1,2,2-trimethyl-piperazine
CID 10246528
1,2,2-Trimethyl-4-(3-phenyl-indan-1-yl)-piperazine
CID 10567738
4-[7-Fluoro-3-(4-fluoro-phenyl)-indan-1-yl]-1,2,2-trimethyl-piperazine
CID 10570260
1-[6-Fluoro-3-(4-fluoro-phenyl)-indan-1-yl]-4-methyl-piperazine
CID 13154762
1-[(1R,3S)-6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-4-methylpiperazine
CID 13154764

Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-difluorophenyl)methyl]-8-methyl-5a,9a,9b,10-tetrahydro-4bH-indeno[1,2-b]indole?
The IUPAC name of 5-[(2,6-difluorophenyl)methyl]-8-methyl-5a,9a,9b,10-tetrahydro-4bH-indeno[1,2-b]indole (CID 140876098) is 5-[(2,6-difluorophenyl)methyl]-8-methyl-5a,9a,9b,10-tetrahydro-4bH-indeno[1,2-b]indole.
What is the SMILES notation for 5-[(2,6-difluorophenyl)methyl]-8-methyl-5a,9a,9b,10-tetrahydro-4bH-indeno[1,2-b]indole?
The canonical SMILES for 5-[(2,6-difluorophenyl)methyl]-8-methyl-5a,9a,9b,10-tetrahydro-4bH-indeno[1,2-b]indole is CC1=CC2C3Cc4ccccc4C3N(Cc3c(F)cccc3F)C2C=C1.
What is the InChIKey of 5-[(2,6-difluorophenyl)methyl]-8-methyl-5a,9a,9b,10-tetrahydro-4bH-indeno[1,2-b]indole?
The InChIKey is WURUPOWHXGQMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N/c1-14-9-10-22-17(11-14)18-12-15-5-2-3-6-16(15)23(18)26(22)13-19-20(24)7-4-8-21(19)25/h2-11,17-18,22-23H,12-13H2,1H3.
What are the key properties of 5-[(2,6-difluorophenyl)methyl]-8-methyl-5a,9a,9b,10-tetrahydro-4bH-indeno[1,2-b]indole?
5-[(2,6-difluorophenyl)methyl]-8-methyl-5a,9a,9b,10-tetrahydro-4bH-indeno[1,2-b]indole has a molecular weight of 349.42 g/mol, XLogP of 5.19, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,6-difluorophenyl)methyl]-8-methyl-5a,9a,9b,10-tetrahydro-4bH-indeno[1,2-b]indole is sourced from PubChem (CID 140876098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).