2-ethyl-5-fluoro-3,7-dimethyl-1H-indole

C12H14FN — CID 65335761

IUPAC2-ethyl-5-fluoro-3,7-dimethyl-1H-indole
SMILESCCc1[nH]c2c(C)cc(F)cc2c1C
InChIInChI=1S/C12H14FN/c1-4-11-8(3)10-6-9(13)5-7(2)12(10)14-11/h5-6,14H,4H2,1-3H3
InChIKeyGQZDNDACDKMFCJ-UHFFFAOYSA-N
MW191.25 g/mol
LogP3.49
Rot. Bonds1

About 2-ethyl-5-fluoro-3,7-dimethyl-1H-indole

2-ethyl-5-fluoro-3,7-dimethyl-1H-indole (PubChem CID 65335761) has the molecular formula C12H14FN and a molecular weight of 191.25 g/mol. Its IUPAC name is 2-ethyl-5-fluoro-3,7-dimethyl-1H-indole.

Molecular Properties

Compound Name2-ethyl-5-fluoro-3,7-dimethyl-1H-indole
PubChem CID65335761
Molecular FormulaC12H14FN
Molecular Weight191.25 g/mol
Exact Mass191.11
IUPAC Name2-ethyl-5-fluoro-3,7-dimethyl-1H-indole
SMILESCCc1[nH]c2c(C)cc(F)cc2c1C
InChIInChI=1S/C12H14FN/c1-4-11-8(3)10-6-9(13)5-7(2)12(10)14-11/h5-6,14H,4H2,1-3H3
InChIKeyGQZDNDACDKMFCJ-UHFFFAOYSA-N
XLogP3.49
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-ethyl-3,7-dimethyl-1H-indole
CID 84707640
2-ethyl-3,7-dimethyl-1H-indol-5-amine
CID 84661612
2-ethyl-6,8-difluoro-3-methyl-1H-quinolin-4-one
CID 63561297
2-ethyl-6-fluoro-8-methyl-1H-quinazoline-4-thione
CID 106505502
N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]pyrazin-2-amine
CID 56880237
2-ethyl-7-fluoro-3,5-dimethyl-1H-quinolin-4-one
CID 79050327
3-ethyl-5-fluoro-7-methyl-2H-indazole
CID 89021133
2-(1,1-dioxothiolan-3-yl)-N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]acetamide
CID 56877501
N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]-3-methoxypyridine-2-carboxamide
CID 56918169
(4S)-N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]-4-morpholin-4-ylpentanamide
CID 95426875
5-cyano-N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide
CID 56874343
N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]-4-(1H-pyrazol-4-yl)butanamide
CID 56872669

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-fluoro-3,7-dimethyl-1H-indole?
The IUPAC name of 2-ethyl-5-fluoro-3,7-dimethyl-1H-indole (CID 65335761) is 2-ethyl-5-fluoro-3,7-dimethyl-1H-indole.
What is the SMILES notation for 2-ethyl-5-fluoro-3,7-dimethyl-1H-indole?
The canonical SMILES for 2-ethyl-5-fluoro-3,7-dimethyl-1H-indole is CCc1[nH]c2c(C)cc(F)cc2c1C.
What is the InChIKey of 2-ethyl-5-fluoro-3,7-dimethyl-1H-indole?
The InChIKey is GQZDNDACDKMFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN/c1-4-11-8(3)10-6-9(13)5-7(2)12(10)14-11/h5-6,14H,4H2,1-3H3.
What are the key properties of 2-ethyl-5-fluoro-3,7-dimethyl-1H-indole?
2-ethyl-5-fluoro-3,7-dimethyl-1H-indole has a molecular weight of 191.25 g/mol, XLogP of 3.49, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-fluoro-3,7-dimethyl-1H-indole is sourced from PubChem (CID 65335761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).