4-fluoro-1-(1-methylazetidin-3-yl)indole;6-fluoro-1-(1-methylazetidin-3-yl)indole

C24H26F2N4 — CID 168939750

IUPAC4-fluoro-1-(1-methylazetidin-3-yl)indole;6-fluoro-1-(1-methylazetidin-3-yl)indole
SMILESCN1CC(n2ccc3c(F)cccc32)C1.CN1CC(n2ccc3ccc(F)cc32)C1
InChIInChI=1S/2C12H13FN2/c1-14-7-11(8-14)15-5-4-9-2-3-10(13)6-12(9)15;1-14-7-9(8-14)15-6-5-10-11(13)3-2-4-12(10)15/h2-6,11H,7-8H2,1H3;2-6,9H,7-8H2,1H3
InChIKeyZJJSFJDHKKNXNE-UHFFFAOYSA-N
MW408.50 g/mol
LogP4.53
Rot. Bonds2

About 4-fluoro-1-(1-methylazetidin-3-yl)indole;6-fluoro-1-(1-methylazetidin-3-yl)indole

4-fluoro-1-(1-methylazetidin-3-yl)indole;6-fluoro-1-(1-methylazetidin-3-yl)indole (PubChem CID 168939750) has the molecular formula C24H26F2N4 and a molecular weight of 408.50 g/mol. Its IUPAC name is 4-fluoro-1-(1-methylazetidin-3-yl)indole;6-fluoro-1-(1-methylazetidin-3-yl)indole.

Molecular Properties

Compound Name4-fluoro-1-(1-methylazetidin-3-yl)indole;6-fluoro-1-(1-methylazetidin-3-yl)indole
PubChem CID168939750
Molecular FormulaC24H26F2N4
Molecular Weight408.50 g/mol
Exact Mass408.21
IUPAC Name4-fluoro-1-(1-methylazetidin-3-yl)indole;6-fluoro-1-(1-methylazetidin-3-yl)indole
SMILESCN1CC(n2ccc3c(F)cccc32)C1.CN1CC(n2ccc3ccc(F)cc32)C1
InChIInChI=1S/2C12H13FN2/c1-14-7-11(8-14)15-5-4-9-2-3-10(13)6-12(9)15;1-14-7-9(8-14)15-6-5-10-11(13)3-2-4-12(10)15/h2-6,11H,7-8H2,1H3;2-6,9H,7-8H2,1H3
InChIKeyZJJSFJDHKKNXNE-UHFFFAOYSA-N
XLogP4.53
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-fluoro-1-(1-methylazetidin-3-yl)indole
CID 168939765
6-bromo-1-(1-methylpyrrolidin-3-yl)indole
CID 137382323
4-fluoro-1-(3-methoxycyclohexyl)indole
CID 113342463
5-fluoro-3-methyl-1-(1-methylpyrrolidin-3-yl)indole
CID 168939774
6-bromo-1-(1-ethylpiperidin-4-yl)indole;fluorobenzene
CID 174406015
5-fluoro-3-(3-fluorophenyl)sulfonyl-1-(1-methylpyrrolidin-3-yl)indole
CID 46880658
4-fluoro-1-(4-fluorophenyl)indole
CID 91138606
N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]butanamide
CID 22037940
1-chloro-4-fluoroindole
CID 151831480
6-fluoro-1-methoxyindole
CID 58657491
3-(dimethylamino)-N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]propanamide
CID 23377466
1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indole-6-carbaldehyde
CID 22038296

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-(1-methylazetidin-3-yl)indole;6-fluoro-1-(1-methylazetidin-3-yl)indole?
The IUPAC name of 4-fluoro-1-(1-methylazetidin-3-yl)indole;6-fluoro-1-(1-methylazetidin-3-yl)indole (CID 168939750) is 4-fluoro-1-(1-methylazetidin-3-yl)indole;6-fluoro-1-(1-methylazetidin-3-yl)indole.
What is the SMILES notation for 4-fluoro-1-(1-methylazetidin-3-yl)indole;6-fluoro-1-(1-methylazetidin-3-yl)indole?
The canonical SMILES for 4-fluoro-1-(1-methylazetidin-3-yl)indole;6-fluoro-1-(1-methylazetidin-3-yl)indole is CN1CC(n2ccc3c(F)cccc32)C1.CN1CC(n2ccc3ccc(F)cc32)C1.
What is the InChIKey of 4-fluoro-1-(1-methylazetidin-3-yl)indole;6-fluoro-1-(1-methylazetidin-3-yl)indole?
The InChIKey is ZJJSFJDHKKNXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H13FN2/c1-14-7-11(8-14)15-5-4-9-2-3-10(13)6-12(9)15;1-14-7-9(8-14)15-6-5-10-11(13)3-2-4-12(10)15/h2-6,11H,7-8H2,1H3;2-6,9H,7-8H2,1H3.
What are the key properties of 4-fluoro-1-(1-methylazetidin-3-yl)indole;6-fluoro-1-(1-methylazetidin-3-yl)indole?
4-fluoro-1-(1-methylazetidin-3-yl)indole;6-fluoro-1-(1-methylazetidin-3-yl)indole has a molecular weight of 408.50 g/mol, XLogP of 4.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-(1-methylazetidin-3-yl)indole;6-fluoro-1-(1-methylazetidin-3-yl)indole is sourced from PubChem (CID 168939750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).