5-fluoro-2-(2-methylpropyl)-1H-indole

C12H14FN — CID 177351441

IUPAC5-fluoro-2-(2-methylpropyl)-1H-indole
SMILESCC(C)Cc1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C12H14FN/c1-8(2)5-11-7-9-6-10(13)3-4-12(9)14-11/h3-4,6-8,14H,5H2,1-2H3
InChIKeyIJMVAKDKRJBHGG-UHFFFAOYSA-N
MW191.25 g/mol
LogP3.51
Rot. Bonds2

About 5-fluoro-2-(2-methylpropyl)-1H-indole

5-fluoro-2-(2-methylpropyl)-1H-indole (PubChem CID 177351441) has the molecular formula C12H14FN and a molecular weight of 191.25 g/mol. Its IUPAC name is 5-fluoro-2-(2-methylpropyl)-1H-indole.

Molecular Properties

Compound Name5-fluoro-2-(2-methylpropyl)-1H-indole
PubChem CID177351441
Molecular FormulaC12H14FN
Molecular Weight191.25 g/mol
Exact Mass191.11
IUPAC Name5-fluoro-2-(2-methylpropyl)-1H-indole
SMILESCC(C)Cc1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C12H14FN/c1-8(2)5-11-7-9-6-10(13)3-4-12(9)14-11/h3-4,6-8,14H,5H2,1-2H3
InChIKeyIJMVAKDKRJBHGG-UHFFFAOYSA-N
XLogP3.51
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

1-(5-fluoro-1H-indol-2-yl)propan-2-amine
CID 10058400
1-(5-fluoro-1H-indol-2-yl)butan-2-amine
CID 131338781
5-fluoro-2-(propan-2-ylsulfanylmethyl)-1H-indole
CID 117176864
2-(5-fluoro-1H-indol-2-yl)-N-methylethanamine
CID 82604676
1-(5-fluoro-1H-indol-2-yl)-2-methylpropan-2-ol
CID 117195228
methyl 3-(5-fluoro-1H-indol-2-yl)propanoate
CID 68676585
1-(5-fluoro-1H-indol-2-yl)-N-methylmethanamine;methanesulfonic acid
CID 53398780
3-(5-fluoro-1H-indol-2-yl)-2,2-dimethylpropanoic acid
CID 117195248
5-fluoro-2-pentyl-1H-indole;3,3,3-trifluoroprop-1-ene
CID 159912969
1-(2,3-dihydronaphthalen-1-yl)-N-[(5-fluoro-1H-indol-2-yl)methyl]ethanamine
CID 142097881
1-(5-fluoro-1H-indol-2-yl)-N-[(2-methoxypyrimidin-5-yl)methyl]-N-methylmethanamine
CID 50968655
2-bromo-5-fluoro-1H-indole
CID 84680101

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(2-methylpropyl)-1H-indole?
The IUPAC name of 5-fluoro-2-(2-methylpropyl)-1H-indole (CID 177351441) is 5-fluoro-2-(2-methylpropyl)-1H-indole.
What is the SMILES notation for 5-fluoro-2-(2-methylpropyl)-1H-indole?
The canonical SMILES for 5-fluoro-2-(2-methylpropyl)-1H-indole is CC(C)Cc1cc2cc(F)ccc2[nH]1.
What is the InChIKey of 5-fluoro-2-(2-methylpropyl)-1H-indole?
The InChIKey is IJMVAKDKRJBHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN/c1-8(2)5-11-7-9-6-10(13)3-4-12(9)14-11/h3-4,6-8,14H,5H2,1-2H3.
What are the key properties of 5-fluoro-2-(2-methylpropyl)-1H-indole?
5-fluoro-2-(2-methylpropyl)-1H-indole has a molecular weight of 191.25 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(2-methylpropyl)-1H-indole is sourced from PubChem (CID 177351441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).