2,2-difluoro-6,7-dihydro-5H-[1,3]dioxolo[4,5-f]indole

C9H7F2NO2 — CID 130891966

IUPAC2,2-difluoro-6,7-dihydro-5H-[1,3]dioxolo[4,5-f]indole
SMILESFC1(F)Oc2cc3c(cc2O1)NCC3
InChIInChI=1S/C9H7F2NO2/c10-9(11)13-7-3-5-1-2-12-6(5)4-8(7)14-9/h3-4,12H,1-2H2
InChIKeyZHKHOECOSWDMAI-UHFFFAOYSA-N
MW199.16 g/mol
LogP1.98
Rot. Bonds

About 2,2-difluoro-6,7-dihydro-5H-[1,3]dioxolo[4,5-f]indole

2,2-difluoro-6,7-dihydro-5H-[1,3]dioxolo[4,5-f]indole (PubChem CID 130891966) has the molecular formula C9H7F2NO2 and a molecular weight of 199.16 g/mol. Its IUPAC name is 2,2-difluoro-6,7-dihydro-5H-[1,3]dioxolo[4,5-f]indole.

Molecular Properties

Compound Name2,2-difluoro-6,7-dihydro-5H-[1,3]dioxolo[4,5-f]indole
PubChem CID130891966
Molecular FormulaC9H7F2NO2
Molecular Weight199.16 g/mol
Exact Mass199.04
IUPAC Name2,2-difluoro-6,7-dihydro-5H-[1,3]dioxolo[4,5-f]indole
SMILESFC1(F)Oc2cc3c(cc2O1)NCC3
InChIInChI=1S/C9H7F2NO2/c10-9(11)13-7-3-5-1-2-12-6(5)4-8(7)14-9/h3-4,12H,1-2H2
InChIKeyZHKHOECOSWDMAI-UHFFFAOYSA-N
XLogP1.98
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.16
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-6,7-dihydro-5H-[1,3]dioxolo[4,5-f]indole?
The IUPAC name of 2,2-difluoro-6,7-dihydro-5H-[1,3]dioxolo[4,5-f]indole (CID 130891966) is 2,2-difluoro-6,7-dihydro-5H-[1,3]dioxolo[4,5-f]indole.
What is the SMILES notation for 2,2-difluoro-6,7-dihydro-5H-[1,3]dioxolo[4,5-f]indole?
The canonical SMILES for 2,2-difluoro-6,7-dihydro-5H-[1,3]dioxolo[4,5-f]indole is FC1(F)Oc2cc3c(cc2O1)NCC3.
What is the InChIKey of 2,2-difluoro-6,7-dihydro-5H-[1,3]dioxolo[4,5-f]indole?
The InChIKey is ZHKHOECOSWDMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F2NO2/c10-9(11)13-7-3-5-1-2-12-6(5)4-8(7)14-9/h3-4,12H,1-2H2.
What are the key properties of 2,2-difluoro-6,7-dihydro-5H-[1,3]dioxolo[4,5-f]indole?
2,2-difluoro-6,7-dihydro-5H-[1,3]dioxolo[4,5-f]indole has a molecular weight of 199.16 g/mol, XLogP of 1.98, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-6,7-dihydro-5H-[1,3]dioxolo[4,5-f]indole is sourced from PubChem (CID 130891966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).