7-fluoro-4-methoxy-3,3-dimethyl-1,2-dihydroindole

C11H14FNO — CID 81222524

IUPAC7-fluoro-4-methoxy-3,3-dimethyl-1,2-dihydroindole
SMILESCOc1ccc(F)c2c1C(C)(C)CN2
InChIInChI=1S/C11H14FNO/c1-11(2)6-13-10-7(12)4-5-8(14-3)9(10)11/h4-5,13H,6H2,1-3H3
InChIKeySIPYUPCVJPNJSQ-UHFFFAOYSA-N
MW195.24 g/mol
LogP2.54
Rot. Bonds1

About 7-fluoro-4-methoxy-3,3-dimethyl-1,2-dihydroindole

7-fluoro-4-methoxy-3,3-dimethyl-1,2-dihydroindole (PubChem CID 81222524) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is 7-fluoro-4-methoxy-3,3-dimethyl-1,2-dihydroindole.

Molecular Properties

Compound Name7-fluoro-4-methoxy-3,3-dimethyl-1,2-dihydroindole
PubChem CID81222524
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name7-fluoro-4-methoxy-3,3-dimethyl-1,2-dihydroindole
SMILESCOc1ccc(F)c2c1C(C)(C)CN2
InChIInChI=1S/C11H14FNO/c1-11(2)6-13-10-7(12)4-5-8(14-3)9(10)11/h4-5,13H,6H2,1-3H3
InChIKeySIPYUPCVJPNJSQ-UHFFFAOYSA-N
XLogP2.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-methoxy-3,3-dimethyl-1,2-dihydroindole?
The IUPAC name of 7-fluoro-4-methoxy-3,3-dimethyl-1,2-dihydroindole (CID 81222524) is 7-fluoro-4-methoxy-3,3-dimethyl-1,2-dihydroindole.
What is the SMILES notation for 7-fluoro-4-methoxy-3,3-dimethyl-1,2-dihydroindole?
The canonical SMILES for 7-fluoro-4-methoxy-3,3-dimethyl-1,2-dihydroindole is COc1ccc(F)c2c1C(C)(C)CN2.
What is the InChIKey of 7-fluoro-4-methoxy-3,3-dimethyl-1,2-dihydroindole?
The InChIKey is SIPYUPCVJPNJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO/c1-11(2)6-13-10-7(12)4-5-8(14-3)9(10)11/h4-5,13H,6H2,1-3H3.
What are the key properties of 7-fluoro-4-methoxy-3,3-dimethyl-1,2-dihydroindole?
7-fluoro-4-methoxy-3,3-dimethyl-1,2-dihydroindole has a molecular weight of 195.24 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-methoxy-3,3-dimethyl-1,2-dihydroindole is sourced from PubChem (CID 81222524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).