ethane;7-fluoro-6-methyl-1H-indole

C11H14FN — CID 144716067

IUPACethane;7-fluoro-6-methyl-1H-indole
SMILESCC.Cc1ccc2cc[nH]c2c1F
InChIInChI=1S/C9H8FN.C2H6/c1-6-2-3-7-4-5-11-9(7)8(6)10;1-2/h2-5,11H,1H3;1-2H3
InChIKeyXRYSUFFKXNBWGK-UHFFFAOYSA-N
MW179.24 g/mol
LogP3.64
Rot. Bonds

About ethane;7-fluoro-6-methyl-1H-indole

ethane;7-fluoro-6-methyl-1H-indole (PubChem CID 144716067) has the molecular formula C11H14FN and a molecular weight of 179.24 g/mol. Its IUPAC name is ethane;7-fluoro-6-methyl-1H-indole.

Molecular Properties

Compound Nameethane;7-fluoro-6-methyl-1H-indole
PubChem CID144716067
Molecular FormulaC11H14FN
Molecular Weight179.24 g/mol
Exact Mass179.11
IUPAC Nameethane;7-fluoro-6-methyl-1H-indole
SMILESCC.Cc1ccc2cc[nH]c2c1F
InChIInChI=1S/C9H8FN.C2H6/c1-6-2-3-7-4-5-11-9(7)8(6)10;1-2/h2-5,11H,1H3;1-2H3
InChIKeyXRYSUFFKXNBWGK-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

ethane;hydrazine;7-methyl-1H-indole
CID 91172685
methyl 7-fluoro-1H-indole-6-carboxylate
CID 122705880
6-methyl-7-(2-methylsulfanylpropan-2-yl)-1H-indole
CID 130218841
6-fluoro-N-methyl-1H-indol-7-amine
CID 175233149
6-bromo-7-methyl-1H-indole
CID 24729281
ethane;4,5,6,7-tetrafluoro-1H-indole
CID 142246490
2-amino-1-(7-fluoro-1H-indol-6-yl)ethanone
CID 82374526
fluoro-(7-methyl-1H-indol-6-yl)methanol
CID 174965642
2-fluoro-3-(4-methyl-1H-indol-7-yl)phenol
CID 166336775
1-(5,7-difluoro-1H-indol-6-yl)ethanol
CID 117286630
N-[(4-fluoro-3,5-dimethylphenyl)methyl]-1-(1H-indol-7-yl)methanamine
CID 103748728
7-fluoro-1H-pyrrolo[2,3-c]pyridine
CID 53413170

Frequently Asked Questions

What is the IUPAC name of ethane;7-fluoro-6-methyl-1H-indole?
The IUPAC name of ethane;7-fluoro-6-methyl-1H-indole (CID 144716067) is ethane;7-fluoro-6-methyl-1H-indole.
What is the SMILES notation for ethane;7-fluoro-6-methyl-1H-indole?
The canonical SMILES for ethane;7-fluoro-6-methyl-1H-indole is CC.Cc1ccc2cc[nH]c2c1F.
What is the InChIKey of ethane;7-fluoro-6-methyl-1H-indole?
The InChIKey is XRYSUFFKXNBWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN.C2H6/c1-6-2-3-7-4-5-11-9(7)8(6)10;1-2/h2-5,11H,1H3;1-2H3.
What are the key properties of ethane;7-fluoro-6-methyl-1H-indole?
ethane;7-fluoro-6-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;7-fluoro-6-methyl-1H-indole is sourced from PubChem (CID 144716067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).