11-ethyl-2-fluoro-6H-isoindolo[2,1-a]indole

C17H14FN — CID 68568637

IUPAC11-ethyl-2-fluoro-6H-isoindolo[2,1-a]indole
SMILESCCc1c2n(c3ccc(F)cc13)Cc1ccccc1-2
InChIInChI=1S/C17H14FN/c1-2-13-15-9-12(18)7-8-16(15)19-10-11-5-3-4-6-14(11)17(13)19/h3-9H,2,10H2,1H3
InChIKeyNBGVUXZKGHIDJP-UHFFFAOYSA-N
MW251.30 g/mol
LogP4.37
Rot. Bonds1

About 11-ethyl-2-fluoro-6H-isoindolo[2,1-a]indole

11-ethyl-2-fluoro-6H-isoindolo[2,1-a]indole (PubChem CID 68568637) has the molecular formula C17H14FN and a molecular weight of 251.30 g/mol. Its IUPAC name is 11-ethyl-2-fluoro-6H-isoindolo[2,1-a]indole.

Molecular Properties

Compound Name11-ethyl-2-fluoro-6H-isoindolo[2,1-a]indole
PubChem CID68568637
Molecular FormulaC17H14FN
Molecular Weight251.30 g/mol
Exact Mass251.11
IUPAC Name11-ethyl-2-fluoro-6H-isoindolo[2,1-a]indole
SMILESCCc1c2n(c3ccc(F)cc13)Cc1ccccc1-2
InChIInChI=1S/C17H14FN/c1-2-13-15-9-12(18)7-8-16(15)19-10-11-5-3-4-6-14(11)17(13)19/h3-9H,2,10H2,1H3
InChIKeyNBGVUXZKGHIDJP-UHFFFAOYSA-N
XLogP4.37
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

11-ethyl-2-methoxy-6H-isoindolo[2,1-a]indole
CID 68565618
2-bromo-11-ethyl-6H-isoindolo[2,1-a]indole;N-methylmethanamine
CID 68569962
2-chloro-11-ethyl-6H-isoindolo[2,1-a]indole;N-ethylethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 68565801
1,3-diethyl-5-fluoro-2-(2H-tetrazol-5-yl)indole
CID 175114950
2-(2-chloro-6H-isoindolo[2,1-a]indol-11-yl)-N,N-dimethylethanamine;2-hydroxybutanedioic acid
CID 10343447
[3-chloro-11-[2-(methylamino)ethyl]-6H-isoindolo[2,1-a]indol-2-yl]sulfamic acid
CID 68568529
1-azahexacyclo[11.9.1.03,8.09,23.014,22.016,21]tricosa-3,5,7,9,11,13(23),14(22),16,18,20-decaene
CID 129142292
2-(4-chloro-6H-isoindolo[2,1-a]indol-11-yl)-N,N-dimethylethanamine
CID 10380727
5-methoxy-8-(2-nitroethyl)-1,6-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2(7),3,5,8,10,12,14-heptaene
CID 18378706
5,10-di(carbazol-9-yl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaene
CID 155005571
3-fluoro-1-methyl-7H-isoindolo[2,1-b]isoquinolin-5-one
CID 56639691
2-(3-fluorocarbazol-9-yl)ethanol
CID 90309942

Frequently Asked Questions

What is the IUPAC name of 11-ethyl-2-fluoro-6H-isoindolo[2,1-a]indole?
The IUPAC name of 11-ethyl-2-fluoro-6H-isoindolo[2,1-a]indole (CID 68568637) is 11-ethyl-2-fluoro-6H-isoindolo[2,1-a]indole.
What is the SMILES notation for 11-ethyl-2-fluoro-6H-isoindolo[2,1-a]indole?
The canonical SMILES for 11-ethyl-2-fluoro-6H-isoindolo[2,1-a]indole is CCc1c2n(c3ccc(F)cc13)Cc1ccccc1-2.
What is the InChIKey of 11-ethyl-2-fluoro-6H-isoindolo[2,1-a]indole?
The InChIKey is NBGVUXZKGHIDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN/c1-2-13-15-9-12(18)7-8-16(15)19-10-11-5-3-4-6-14(11)17(13)19/h3-9H,2,10H2,1H3.
What are the key properties of 11-ethyl-2-fluoro-6H-isoindolo[2,1-a]indole?
11-ethyl-2-fluoro-6H-isoindolo[2,1-a]indole has a molecular weight of 251.30 g/mol, XLogP of 4.37, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-ethyl-2-fluoro-6H-isoindolo[2,1-a]indole is sourced from PubChem (CID 68568637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).