7-(difluoromethoxy)-2,3-dihydro-1H-indole

C9H9F2NO — CID 16786288

IUPAC7-(difluoromethoxy)-2,3-dihydro-1H-indole
SMILESFC(F)Oc1cccc2c1NCC2
InChIInChI=1S/C9H9F2NO/c10-9(11)13-7-3-1-2-6-4-5-12-8(6)7/h1-3,9,12H,4-5H2
InChIKeySYVOSYMMUILTFK-UHFFFAOYSA-N
MW185.17 g/mol
LogP2.26
Rot. Bonds2

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

7-(difluoromethoxy)-2,3-dihydro-1H-indole (PubChem CID 16786288) has the molecular formula C9H9F2NO and a molecular weight of 185.17 g/mol. Its IUPAC name is 7-(difluoromethoxy)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name7-(difluoromethoxy)-2,3-dihydro-1H-indole
PubChem CID16786288
Molecular FormulaC9H9F2NO
Molecular Weight185.17 g/mol
Exact Mass185.07
IUPAC Name7-(difluoromethoxy)-2,3-dihydro-1H-indole
SMILESFC(F)Oc1cccc2c1NCC2
InChIInChI=1S/C9H9F2NO/c10-9(11)13-7-3-1-2-6-4-5-12-8(6)7/h1-3,9,12H,4-5H2
InChIKeySYVOSYMMUILTFK-UHFFFAOYSA-N
XLogP2.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.17
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethoxy)-2,3-dihydro-1H-indole?
The IUPAC name of 7-(difluoromethoxy)-2,3-dihydro-1H-indole (CID 16786288) is 7-(difluoromethoxy)-2,3-dihydro-1H-indole.
What is the SMILES notation for 7-(difluoromethoxy)-2,3-dihydro-1H-indole?
The canonical SMILES for 7-(difluoromethoxy)-2,3-dihydro-1H-indole is FC(F)Oc1cccc2c1NCC2.
What is the InChIKey of 7-(difluoromethoxy)-2,3-dihydro-1H-indole?
The InChIKey is SYVOSYMMUILTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO/c10-9(11)13-7-3-1-2-6-4-5-12-8(6)7/h1-3,9,12H,4-5H2.
What are the key properties of 7-(difluoromethoxy)-2,3-dihydro-1H-indole?
7-(difluoromethoxy)-2,3-dihydro-1H-indole has a molecular weight of 185.17 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethoxy)-2,3-dihydro-1H-indole is sourced from PubChem (CID 16786288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).