1-ethyl-5-fluoro-3-methyl-3a,7a-dihydroindole

C11H14FN — CID 146221699

IUPAC1-ethyl-5-fluoro-3-methyl-3a,7a-dihydroindole
SMILESCCN1C=C(C)C2C=C(F)C=CC21
InChIInChI=1S/C11H14FN/c1-3-13-7-8(2)10-6-9(12)4-5-11(10)13/h4-7,10-11H,3H2,1-2H3
InChIKeyVDMUAUOBKHTWHR-UHFFFAOYSA-N
MW179.24 g/mol
LogP2.63
Rot. Bonds1

About 1-ethyl-5-fluoro-3-methyl-3a,7a-dihydroindole

1-ethyl-5-fluoro-3-methyl-3a,7a-dihydroindole (PubChem CID 146221699) has the molecular formula C11H14FN and a molecular weight of 179.24 g/mol. Its IUPAC name is 1-ethyl-5-fluoro-3-methyl-3a,7a-dihydroindole.

Molecular Properties

Compound Name1-ethyl-5-fluoro-3-methyl-3a,7a-dihydroindole
PubChem CID146221699
Molecular FormulaC11H14FN
Molecular Weight179.24 g/mol
Exact Mass179.11
IUPAC Name1-ethyl-5-fluoro-3-methyl-3a,7a-dihydroindole
SMILESCCN1C=C(C)C2C=C(F)C=CC21
InChIInChI=1S/C11H14FN/c1-3-13-7-8(2)10-6-9(12)4-5-11(10)13/h4-7,10-11H,3H2,1-2H3
InChIKeyVDMUAUOBKHTWHR-UHFFFAOYSA-N
XLogP2.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-fluoro-3-methyl-3a,7a-dihydroindole?
The IUPAC name of 1-ethyl-5-fluoro-3-methyl-3a,7a-dihydroindole (CID 146221699) is 1-ethyl-5-fluoro-3-methyl-3a,7a-dihydroindole.
What is the SMILES notation for 1-ethyl-5-fluoro-3-methyl-3a,7a-dihydroindole?
The canonical SMILES for 1-ethyl-5-fluoro-3-methyl-3a,7a-dihydroindole is CCN1C=C(C)C2C=C(F)C=CC21.
What is the InChIKey of 1-ethyl-5-fluoro-3-methyl-3a,7a-dihydroindole?
The InChIKey is VDMUAUOBKHTWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN/c1-3-13-7-8(2)10-6-9(12)4-5-11(10)13/h4-7,10-11H,3H2,1-2H3.
What are the key properties of 1-ethyl-5-fluoro-3-methyl-3a,7a-dihydroindole?
1-ethyl-5-fluoro-3-methyl-3a,7a-dihydroindole has a molecular weight of 179.24 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-fluoro-3-methyl-3a,7a-dihydroindole is sourced from PubChem (CID 146221699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).