3-ethyl-5-fluoro-1-propan-2-ylindole

C13H16FN — CID 155279245

IUPAC3-ethyl-5-fluoro-1-propan-2-ylindole
SMILESCCc1cn(C(C)C)c2ccc(F)cc12
InChIInChI=1S/C13H16FN/c1-4-10-8-15(9(2)3)13-6-5-11(14)7-12(10)13/h5-9H,4H2,1-3H3
InChIKeyXKLDLBUFFDZEES-UHFFFAOYSA-N
MW205.28 g/mol
LogP3.92
Rot. Bonds2

About 3-ethyl-5-fluoro-1-propan-2-ylindole

3-ethyl-5-fluoro-1-propan-2-ylindole (PubChem CID 155279245) has the molecular formula C13H16FN and a molecular weight of 205.28 g/mol. Its IUPAC name is 3-ethyl-5-fluoro-1-propan-2-ylindole.

Molecular Properties

Compound Name3-ethyl-5-fluoro-1-propan-2-ylindole
PubChem CID155279245
Molecular FormulaC13H16FN
Molecular Weight205.28 g/mol
Exact Mass205.13
IUPAC Name3-ethyl-5-fluoro-1-propan-2-ylindole
SMILESCCc1cn(C(C)C)c2ccc(F)cc12
InChIInChI=1S/C13H16FN/c1-4-10-8-15(9(2)3)13-6-5-11(14)7-12(10)13/h5-9H,4H2,1-3H3
InChIKeyXKLDLBUFFDZEES-UHFFFAOYSA-N
XLogP3.92
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-fluoro-1-propan-2-yl-3-(propan-2-ylsulfanylmethyl)indole
CID 117175718
1-(5-fluoro-1-propan-2-ylindol-3-yl)-2-methylpropan-2-ol
CID 117121037
(Z)-4-(5-fluoro-1-propan-2-ylindol-3-yl)but-2-en-2-amine
CID 145343643
1-(3-ethyl-5-fluoroindol-1-yl)propan-2-amine
CID 22363310
2-(5-fluoro-1-propan-2-ylindol-3-yl)propan-1-ol
CID 117121050
3-ethyl-5-fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridine
CID 139383710
(6-fluoro-1-propan-2-ylindol-3-yl)methanethiol
CID 117179135
ethyl 2-amino-2-(5-fluoro-1-propan-2-ylindol-3-yl)acetate
CID 115073241
1-ethyl-5-fluoro-3-(propan-2-ylsulfonylmethyl)indole
CID 117175519
4-ethyl-7-fluoro-2-methylisoquinolin-1-one
CID 115063450
2-(5-methyl-1-propan-2-ylindol-3-yl)acetaldehyde
CID 115006226
3-(aminomethyl)-1-propan-2-ylindol-5-amine
CID 117175454

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-fluoro-1-propan-2-ylindole?
The IUPAC name of 3-ethyl-5-fluoro-1-propan-2-ylindole (CID 155279245) is 3-ethyl-5-fluoro-1-propan-2-ylindole.
What is the SMILES notation for 3-ethyl-5-fluoro-1-propan-2-ylindole?
The canonical SMILES for 3-ethyl-5-fluoro-1-propan-2-ylindole is CCc1cn(C(C)C)c2ccc(F)cc12.
What is the InChIKey of 3-ethyl-5-fluoro-1-propan-2-ylindole?
The InChIKey is XKLDLBUFFDZEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN/c1-4-10-8-15(9(2)3)13-6-5-11(14)7-12(10)13/h5-9H,4H2,1-3H3.
What are the key properties of 3-ethyl-5-fluoro-1-propan-2-ylindole?
3-ethyl-5-fluoro-1-propan-2-ylindole has a molecular weight of 205.28 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-fluoro-1-propan-2-ylindole is sourced from PubChem (CID 155279245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).