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

C10H11F2NO — CID 84668697

IUPAC2-(difluoromethyl)-7-methoxy-2,3-dihydro-1H-indole
SMILESCOc1cccc2c1NC(C(F)F)C2
InChIInChI=1S/C10H11F2NO/c1-14-8-4-2-3-6-5-7(10(11)12)13-9(6)8/h2-4,7,10,13H,5H2,1H3
InChIKeyVWTGOZTXCJKZRR-UHFFFAOYSA-N
MW199.20 g/mol
LogP2.30
Rot. Bonds2

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

2-(difluoromethyl)-7-methoxy-2,3-dihydro-1H-indole (PubChem CID 84668697) has the molecular formula C10H11F2NO and a molecular weight of 199.20 g/mol. Its IUPAC name is 2-(difluoromethyl)-7-methoxy-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name2-(difluoromethyl)-7-methoxy-2,3-dihydro-1H-indole
PubChem CID84668697
Molecular FormulaC10H11F2NO
Molecular Weight199.20 g/mol
Exact Mass199.08
IUPAC Name2-(difluoromethyl)-7-methoxy-2,3-dihydro-1H-indole
SMILESCOc1cccc2c1NC(C(F)F)C2
InChIInChI=1S/C10H11F2NO/c1-14-8-4-2-3-6-5-7(10(11)12)13-9(6)8/h2-4,7,10,13H,5H2,1H3
InChIKeyVWTGOZTXCJKZRR-UHFFFAOYSA-N
XLogP2.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.20
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-7-methoxy-2,3-dihydro-1H-indole?
The IUPAC name of 2-(difluoromethyl)-7-methoxy-2,3-dihydro-1H-indole (CID 84668697) is 2-(difluoromethyl)-7-methoxy-2,3-dihydro-1H-indole.
What is the SMILES notation for 2-(difluoromethyl)-7-methoxy-2,3-dihydro-1H-indole?
The canonical SMILES for 2-(difluoromethyl)-7-methoxy-2,3-dihydro-1H-indole is COc1cccc2c1NC(C(F)F)C2.
What is the InChIKey of 2-(difluoromethyl)-7-methoxy-2,3-dihydro-1H-indole?
The InChIKey is VWTGOZTXCJKZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO/c1-14-8-4-2-3-6-5-7(10(11)12)13-9(6)8/h2-4,7,10,13H,5H2,1H3.
What are the key properties of 2-(difluoromethyl)-7-methoxy-2,3-dihydro-1H-indole?
2-(difluoromethyl)-7-methoxy-2,3-dihydro-1H-indole has a molecular weight of 199.20 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-7-methoxy-2,3-dihydro-1H-indole is sourced from PubChem (CID 84668697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).