1-(1,2-dihydroazet-3-ylmethyl)-5-fluoroindole

C12H11FN2 — CID 142674305

IUPAC1-(1,2-dihydroazet-3-ylmethyl)-5-fluoroindole
SMILESFc1ccc2c(ccn2CC2=CNC2)c1
InChIInChI=1S/C12H11FN2/c13-11-1-2-12-10(5-11)3-4-15(12)8-9-6-14-7-9/h1-6,14H,7-8H2
InChIKeyGYGWAUVAIGVHLZ-UHFFFAOYSA-N
MW202.23 g/mol
LogP2.27
Rot. Bonds2

About 1-(1,2-dihydroazet-3-ylmethyl)-5-fluoroindole

1-(1,2-dihydroazet-3-ylmethyl)-5-fluoroindole (PubChem CID 142674305) has the molecular formula C12H11FN2 and a molecular weight of 202.23 g/mol. Its IUPAC name is 1-(1,2-dihydroazet-3-ylmethyl)-5-fluoroindole.

Molecular Properties

Compound Name1-(1,2-dihydroazet-3-ylmethyl)-5-fluoroindole
PubChem CID142674305
Molecular FormulaC12H11FN2
Molecular Weight202.23 g/mol
Exact Mass202.09
IUPAC Name1-(1,2-dihydroazet-3-ylmethyl)-5-fluoroindole
SMILESFc1ccc2c(ccn2CC2=CNC2)c1
InChIInChI=1S/C12H11FN2/c13-11-1-2-12-10(5-11)3-4-15(12)8-9-6-14-7-9/h1-6,14H,7-8H2
InChIKeyGYGWAUVAIGVHLZ-UHFFFAOYSA-N
XLogP2.27
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-1-[(3-fluorophenyl)methyl]indole
CID 63852171
1-[(2-bromo-4-fluorophenyl)methyl]-5-fluoroindole
CID 63851490
5-fluoro-1-(pyridin-2-ylmethyl)indole
CID 55257545
2-bromo-5-[(5-fluoroindol-1-yl)methyl]aniline
CID 115557370
[4-fluoro-3-[(5-fluoroindol-1-yl)methyl]phenyl]methanamine
CID 63850276
5-bromo-2-[(5-fluoroindol-1-yl)methyl]aniline
CID 114380593
5-fluoro-1-(2-propan-2-yloxyethyl)indole
CID 55258510
(2S)-1-(5-fluoroindol-1-yl)propan-2-ol
CID 54045711
5-fluoro-1-[(2-fluoro-3-methoxyphenyl)methyl]indole
CID 104794968
5-bromo-1-[(3,5-difluorophenyl)methyl]indole
CID 105409253
3-[1-[(4-fluorophenyl)methyl]indol-5-yl]propan-1-amine
CID 170867983
1-[(5-chloro-2-methoxyphenyl)methyl]-5-fluoroindole
CID 63852001

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dihydroazet-3-ylmethyl)-5-fluoroindole?
The IUPAC name of 1-(1,2-dihydroazet-3-ylmethyl)-5-fluoroindole (CID 142674305) is 1-(1,2-dihydroazet-3-ylmethyl)-5-fluoroindole.
What is the SMILES notation for 1-(1,2-dihydroazet-3-ylmethyl)-5-fluoroindole?
The canonical SMILES for 1-(1,2-dihydroazet-3-ylmethyl)-5-fluoroindole is Fc1ccc2c(ccn2CC2=CNC2)c1.
What is the InChIKey of 1-(1,2-dihydroazet-3-ylmethyl)-5-fluoroindole?
The InChIKey is GYGWAUVAIGVHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2/c13-11-1-2-12-10(5-11)3-4-15(12)8-9-6-14-7-9/h1-6,14H,7-8H2.
What are the key properties of 1-(1,2-dihydroazet-3-ylmethyl)-5-fluoroindole?
1-(1,2-dihydroazet-3-ylmethyl)-5-fluoroindole has a molecular weight of 202.23 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dihydroazet-3-ylmethyl)-5-fluoroindole is sourced from PubChem (CID 142674305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).