5,6-difluoro-1,3-dimethyl-2,3-dihydroindole

C10H11F2N — CID 58386577

IUPAC5,6-difluoro-1,3-dimethyl-2,3-dihydroindole
SMILESCC1CN(C)c2cc(F)c(F)cc21
InChIInChI=1S/C10H11F2N/c1-6-5-13(2)10-4-9(12)8(11)3-7(6)10/h3-4,6H,5H2,1-2H3
InChIKeyBTEJVJFCRYITKD-UHFFFAOYSA-N
MW183.20 g/mol
LogP2.52
Rot. Bonds

About 5,6-difluoro-1,3-dimethyl-2,3-dihydroindole

5,6-difluoro-1,3-dimethyl-2,3-dihydroindole (PubChem CID 58386577) has the molecular formula C10H11F2N and a molecular weight of 183.20 g/mol. Its IUPAC name is 5,6-difluoro-1,3-dimethyl-2,3-dihydroindole.

Molecular Properties

Compound Name5,6-difluoro-1,3-dimethyl-2,3-dihydroindole
PubChem CID58386577
Molecular FormulaC10H11F2N
Molecular Weight183.20 g/mol
Exact Mass183.09
IUPAC Name5,6-difluoro-1,3-dimethyl-2,3-dihydroindole
SMILESCC1CN(C)c2cc(F)c(F)cc21
InChIInChI=1S/C10H11F2N/c1-6-5-13(2)10-4-9(12)8(11)3-7(6)10/h3-4,6H,5H2,1-2H3
InChIKeyBTEJVJFCRYITKD-UHFFFAOYSA-N
XLogP2.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.20
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,6-difluoro-1,3-dimethyl-2,3-dihydroindole?
The IUPAC name of 5,6-difluoro-1,3-dimethyl-2,3-dihydroindole (CID 58386577) is 5,6-difluoro-1,3-dimethyl-2,3-dihydroindole.
What is the SMILES notation for 5,6-difluoro-1,3-dimethyl-2,3-dihydroindole?
The canonical SMILES for 5,6-difluoro-1,3-dimethyl-2,3-dihydroindole is CC1CN(C)c2cc(F)c(F)cc21.
What is the InChIKey of 5,6-difluoro-1,3-dimethyl-2,3-dihydroindole?
The InChIKey is BTEJVJFCRYITKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N/c1-6-5-13(2)10-4-9(12)8(11)3-7(6)10/h3-4,6H,5H2,1-2H3.
What are the key properties of 5,6-difluoro-1,3-dimethyl-2,3-dihydroindole?
5,6-difluoro-1,3-dimethyl-2,3-dihydroindole has a molecular weight of 183.20 g/mol, XLogP of 2.52, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-difluoro-1,3-dimethyl-2,3-dihydroindole is sourced from PubChem (CID 58386577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).