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

C12H16FNO — CID 84676963

IUPAC2-(2-fluoropropan-2-yl)-7-methoxy-2,3-dihydro-1H-indole
SMILESCOc1cccc2c1NC(C(C)(C)F)C2
InChIInChI=1S/C12H16FNO/c1-12(2,13)10-7-8-5-4-6-9(15-3)11(8)14-10/h4-6,10,14H,7H2,1-3H3
InChIKeyYQYHGVLHVUNELP-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.78
Rot. Bonds2

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

2-(2-fluoropropan-2-yl)-7-methoxy-2,3-dihydro-1H-indole (PubChem CID 84676963) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 2-(2-fluoropropan-2-yl)-7-methoxy-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name2-(2-fluoropropan-2-yl)-7-methoxy-2,3-dihydro-1H-indole
PubChem CID84676963
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name2-(2-fluoropropan-2-yl)-7-methoxy-2,3-dihydro-1H-indole
SMILESCOc1cccc2c1NC(C(C)(C)F)C2
InChIInChI=1S/C12H16FNO/c1-12(2,13)10-7-8-5-4-6-9(15-3)11(8)14-10/h4-6,10,14H,7H2,1-3H3
InChIKeyYQYHGVLHVUNELP-UHFFFAOYSA-N
XLogP2.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoropropan-2-yl)-7-methoxy-2,3-dihydro-1H-indole?
The IUPAC name of 2-(2-fluoropropan-2-yl)-7-methoxy-2,3-dihydro-1H-indole (CID 84676963) is 2-(2-fluoropropan-2-yl)-7-methoxy-2,3-dihydro-1H-indole.
What is the SMILES notation for 2-(2-fluoropropan-2-yl)-7-methoxy-2,3-dihydro-1H-indole?
The canonical SMILES for 2-(2-fluoropropan-2-yl)-7-methoxy-2,3-dihydro-1H-indole is COc1cccc2c1NC(C(C)(C)F)C2.
What is the InChIKey of 2-(2-fluoropropan-2-yl)-7-methoxy-2,3-dihydro-1H-indole?
The InChIKey is YQYHGVLHVUNELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-12(2,13)10-7-8-5-4-6-9(15-3)11(8)14-10/h4-6,10,14H,7H2,1-3H3.
What are the key properties of 2-(2-fluoropropan-2-yl)-7-methoxy-2,3-dihydro-1H-indole?
2-(2-fluoropropan-2-yl)-7-methoxy-2,3-dihydro-1H-indole has a molecular weight of 209.26 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoropropan-2-yl)-7-methoxy-2,3-dihydro-1H-indole is sourced from PubChem (CID 84676963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).