ethane;4-fluoro-2-methyl-1H-indole

C11H14FN — CID 171088115

IUPACethane;4-fluoro-2-methyl-1H-indole
SMILESCC.Cc1cc2c(F)cccc2[nH]1
InChIInChI=1S/C9H8FN.C2H6/c1-6-5-7-8(10)3-2-4-9(7)11-6;1-2/h2-5,11H,1H3;1-2H3
InChIKeyGARBSZISXYSALQ-UHFFFAOYSA-N
MW179.24 g/mol
LogP3.64
Rot. Bonds

About ethane;4-fluoro-2-methyl-1H-indole

ethane;4-fluoro-2-methyl-1H-indole (PubChem CID 171088115) has the molecular formula C11H14FN and a molecular weight of 179.24 g/mol. Its IUPAC name is ethane;4-fluoro-2-methyl-1H-indole.

Molecular Properties

Compound Nameethane;4-fluoro-2-methyl-1H-indole
PubChem CID171088115
Molecular FormulaC11H14FN
Molecular Weight179.24 g/mol
Exact Mass179.11
IUPAC Nameethane;4-fluoro-2-methyl-1H-indole
SMILESCC.Cc1cc2c(F)cccc2[nH]1
InChIInChI=1S/C9H8FN.C2H6/c1-6-5-7-8(10)3-2-4-9(7)11-6;1-2/h2-5,11H,1H3;1-2H3
InChIKeyGARBSZISXYSALQ-UHFFFAOYSA-N
XLogP3.64
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

2,4-dimethyl-1H-indole;ethane
CID 91303970
4-fluoro-N-methyl-1H-indol-2-amine
CID 143863709
6-(4-fluoro-1H-indol-2-yl)-4-methyl-1H-pyridin-2-one
CID 144764054
ethane;4-ethoxy-2-methyl-1H-indole
CID 171088293
5-(4-fluoro-1H-indol-2-yl)-1H-pyrazol-3-amine
CID 136985687
N,N-dimethyl-1-(2-methyl-1H-indol-4-yl)methanamine
CID 89305808
ethane;4-ethyl-6-methyl-7-propan-2-yl-5H-pyrrolo[2,1-g][1,2,4]triazepine;4-fluoro-2-methyl-1H-indole
CID 142854504
4-fluoro-2-methyl-1H-indol-5-amine
CID 44558426
4-fluoro-2-(6-methylpyrazin-2-yl)-1H-indole
CID 144766338
4-fluoro-2-(propan-2-yloxymethyl)-1H-indole
CID 117173426
N-(2-fluoro-2-methylpropyl)-2-methyl-1H-indol-4-amine
CID 83822411
2-methyl-1H-indole-4-carboxamide;hydrochloride
CID 175902728

Frequently Asked Questions

What is the IUPAC name of ethane;4-fluoro-2-methyl-1H-indole?
The IUPAC name of ethane;4-fluoro-2-methyl-1H-indole (CID 171088115) is ethane;4-fluoro-2-methyl-1H-indole.
What is the SMILES notation for ethane;4-fluoro-2-methyl-1H-indole?
The canonical SMILES for ethane;4-fluoro-2-methyl-1H-indole is CC.Cc1cc2c(F)cccc2[nH]1.
What is the InChIKey of ethane;4-fluoro-2-methyl-1H-indole?
The InChIKey is GARBSZISXYSALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN.C2H6/c1-6-5-7-8(10)3-2-4-9(7)11-6;1-2/h2-5,11H,1H3;1-2H3.
What are the key properties of ethane;4-fluoro-2-methyl-1H-indole?
ethane;4-fluoro-2-methyl-1H-indole has a molecular weight of 179.24 g/mol, XLogP of 3.64, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-fluoro-2-methyl-1H-indole is sourced from PubChem (CID 171088115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).