ethane;5-fluoro-4-methyl-1H-indole

C11H14FN — CID 142062842

IUPACethane;5-fluoro-4-methyl-1H-indole
SMILESCC.Cc1c(F)ccc2[nH]ccc12
InChIInChI=1S/C9H8FN.C2H6/c1-6-7-4-5-11-9(7)3-2-8(6)10;1-2/h2-5,11H,1H3;1-2H3
InChIKeyNTKJQKFWLFGUKH-UHFFFAOYSA-N
MW179.24 g/mol
LogP3.64
Rot. Bonds

About ethane;5-fluoro-4-methyl-1H-indole

ethane;5-fluoro-4-methyl-1H-indole (PubChem CID 142062842) has the molecular formula C11H14FN and a molecular weight of 179.24 g/mol. Its IUPAC name is ethane;5-fluoro-4-methyl-1H-indole.

Molecular Properties

Compound Nameethane;5-fluoro-4-methyl-1H-indole
PubChem CID142062842
Molecular FormulaC11H14FN
Molecular Weight179.24 g/mol
Exact Mass179.11
IUPAC Nameethane;5-fluoro-4-methyl-1H-indole
SMILESCC.Cc1c(F)ccc2[nH]ccc12
InChIInChI=1S/C9H8FN.C2H6/c1-6-7-4-5-11-9(7)3-2-8(6)10;1-2/h2-5,11H,1H3;1-2H3
InChIKeyNTKJQKFWLFGUKH-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

5-fluoro-4-methyl-1H-indole
CID 19848907
CID 145278706
CID 145278706
4-methyl-1H-indole-5-carboxylic acid
CID 58820277
5-tert-butyl-4-chloro-1H-indole
CID 10536327
5-(3-bromo-4-fluorophenoxy)-6-fluoro-4-methyl-1H-indole
CID 167505847
4-fluoro-1H-indol-5-amine;hydrochloride
CID 138393680
5-methyl-4-propan-2-yl-1H-indole
CID 23058098
6-fluoro-4,7-dimethyl-1H-indole
CID 170176297
6-fluoro-5-(4-fluoro-3-isocyanophenyl)sulfanyl-4-methyl-1H-indole
CID 176852479
2-N-(4-methyl-1H-indol-5-yl)benzene-1,2-diamine
CID 174568422
4-(1,1-difluoroethyl)-1H-indole
CID 145206515
6-fluoro-3-hydroxy-5-methyl-1H-quinolin-2-one
CID 68640700

Frequently Asked Questions

What is the IUPAC name of ethane;5-fluoro-4-methyl-1H-indole?
The IUPAC name of ethane;5-fluoro-4-methyl-1H-indole (CID 142062842) is ethane;5-fluoro-4-methyl-1H-indole.
What is the SMILES notation for ethane;5-fluoro-4-methyl-1H-indole?
The canonical SMILES for ethane;5-fluoro-4-methyl-1H-indole is CC.Cc1c(F)ccc2[nH]ccc12.
What is the InChIKey of ethane;5-fluoro-4-methyl-1H-indole?
The InChIKey is NTKJQKFWLFGUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN.C2H6/c1-6-7-4-5-11-9(7)3-2-8(6)10;1-2/h2-5,11H,1H3;1-2H3.
What are the key properties of ethane;5-fluoro-4-methyl-1H-indole?
ethane;5-fluoro-4-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;5-fluoro-4-methyl-1H-indole is sourced from PubChem (CID 142062842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).