2-(1-fluoroethyl)-7-methoxy-2,3-dihydro-1H-indole

C11H14FNO — CID 84666134

IUPAC2-(1-fluoroethyl)-7-methoxy-2,3-dihydro-1H-indole
SMILESCOc1cccc2c1NC(C(C)F)C2
InChIInChI=1S/C11H14FNO/c1-7(12)9-6-8-4-3-5-10(14-2)11(8)13-9/h3-5,7,9,13H,6H2,1-2H3
InChIKeyIVXDRDCVOMMVBV-UHFFFAOYSA-N
MW195.24 g/mol
LogP2.39
Rot. Bonds2

About 2-(1-fluoroethyl)-7-methoxy-2,3-dihydro-1H-indole

2-(1-fluoroethyl)-7-methoxy-2,3-dihydro-1H-indole (PubChem CID 84666134) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is 2-(1-fluoroethyl)-7-methoxy-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name2-(1-fluoroethyl)-7-methoxy-2,3-dihydro-1H-indole
PubChem CID84666134
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name2-(1-fluoroethyl)-7-methoxy-2,3-dihydro-1H-indole
SMILESCOc1cccc2c1NC(C(C)F)C2
InChIInChI=1S/C11H14FNO/c1-7(12)9-6-8-4-3-5-10(14-2)11(8)13-9/h3-5,7,9,13H,6H2,1-2H3
InChIKeyIVXDRDCVOMMVBV-UHFFFAOYSA-N
XLogP2.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-fluoroethyl)-7-methoxy-2,3-dihydro-1H-indole?
The IUPAC name of 2-(1-fluoroethyl)-7-methoxy-2,3-dihydro-1H-indole (CID 84666134) is 2-(1-fluoroethyl)-7-methoxy-2,3-dihydro-1H-indole.
What is the SMILES notation for 2-(1-fluoroethyl)-7-methoxy-2,3-dihydro-1H-indole?
The canonical SMILES for 2-(1-fluoroethyl)-7-methoxy-2,3-dihydro-1H-indole is COc1cccc2c1NC(C(C)F)C2.
What is the InChIKey of 2-(1-fluoroethyl)-7-methoxy-2,3-dihydro-1H-indole?
The InChIKey is IVXDRDCVOMMVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO/c1-7(12)9-6-8-4-3-5-10(14-2)11(8)13-9/h3-5,7,9,13H,6H2,1-2H3.
What are the key properties of 2-(1-fluoroethyl)-7-methoxy-2,3-dihydro-1H-indole?
2-(1-fluoroethyl)-7-methoxy-2,3-dihydro-1H-indole has a molecular weight of 195.24 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluoroethyl)-7-methoxy-2,3-dihydro-1H-indole is sourced from PubChem (CID 84666134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).