ethane;6-fluoro-3-methyl-1H-indole

C13H20FN — CID 142460316

IUPACethane;6-fluoro-3-methyl-1H-indole
SMILESCC.CC.Cc1c[nH]c2cc(F)ccc12
InChIInChI=1S/C9H8FN.2C2H6/c1-6-5-11-9-4-7(10)2-3-8(6)9;2*1-2/h2-5,11H,1H3;2*1-2H3
InChIKeyZVDHQPGAXAOWRY-UHFFFAOYSA-N
MW209.31 g/mol
LogP4.67
Rot. Bonds

About ethane;6-fluoro-3-methyl-1H-indole

ethane;6-fluoro-3-methyl-1H-indole (PubChem CID 142460316) has the molecular formula C13H20FN and a molecular weight of 209.31 g/mol. Its IUPAC name is ethane;6-fluoro-3-methyl-1H-indole.

Molecular Properties

Compound Nameethane;6-fluoro-3-methyl-1H-indole
PubChem CID142460316
Molecular FormulaC13H20FN
Molecular Weight209.31 g/mol
Exact Mass209.16
IUPAC Nameethane;6-fluoro-3-methyl-1H-indole
SMILESCC.CC.Cc1c[nH]c2cc(F)ccc12
InChIInChI=1S/C9H8FN.2C2H6/c1-6-5-11-9-4-7(10)2-3-8(6)9;2*1-2/h2-5,11H,1H3;2*1-2H3
InChIKeyZVDHQPGAXAOWRY-UHFFFAOYSA-N
XLogP4.67
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

7-fluoro-3-methyl-1H-quinolin-4-one
CID 175970983
6-fluoro-3-[(6-fluoro-1H-indol-3-yl)-(4-methylphenyl)methyl]-1H-indole
CID 132532870
6-fluoro-3-[(2-methylphenoxy)methyl]-1H-indole
CID 117178425
(2,4-dimethylphenyl)-(6-fluoro-1H-indol-3-yl)methanone
CID 43163503
N-(2,4-dimethylphenyl)-6-fluoro-1H-indole-3-carboxamide
CID 113206239
(6-fluoro-1H-indol-3-yl)-(4-fluoro-3-methylphenyl)methanone
CID 63209854
(2,3-dimethylphenyl)-(6-fluoro-1H-indol-3-yl)methanone
CID 43342049
N,N-diethyl-2-(6-fluoro-1H-indol-3-yl)ethanamine;hydrochloride
CID 17370
6-fluoro-3-(2-methyl-4-pyridinyl)-1H-indole
CID 160738701
1-[5-(6-fluoro-1H-indol-3-yl)-2-methylphenyl]-N-methylmethanimine
CID 144924000
2-(3-methyl-1H-indol-6-yl)acetaldehyde
CID 117204944
N-methyl-1-(3-methyl-1H-indol-6-yl)methanamine
CID 117205001

Frequently Asked Questions

What is the IUPAC name of ethane;6-fluoro-3-methyl-1H-indole?
The IUPAC name of ethane;6-fluoro-3-methyl-1H-indole (CID 142460316) is ethane;6-fluoro-3-methyl-1H-indole.
What is the SMILES notation for ethane;6-fluoro-3-methyl-1H-indole?
The canonical SMILES for ethane;6-fluoro-3-methyl-1H-indole is CC.CC.Cc1c[nH]c2cc(F)ccc12.
What is the InChIKey of ethane;6-fluoro-3-methyl-1H-indole?
The InChIKey is ZVDHQPGAXAOWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN.2C2H6/c1-6-5-11-9-4-7(10)2-3-8(6)9;2*1-2/h2-5,11H,1H3;2*1-2H3.
What are the key properties of ethane;6-fluoro-3-methyl-1H-indole?
ethane;6-fluoro-3-methyl-1H-indole has a molecular weight of 209.31 g/mol, XLogP of 4.67, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-fluoro-3-methyl-1H-indole is sourced from PubChem (CID 142460316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).