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

C12H17F2N — CID 143808256

IUPAC5,6-difluoro-1,3-dimethyl-2,3-dihydroindole;ethane
SMILESCC.CC1CN(C)c2cc(F)c(F)cc21
InChIInChI=1S/C10H11F2N.C2H6/c1-6-5-13(2)10-4-9(12)8(11)3-7(6)10;1-2/h3-4,6H,5H2,1-2H3;1-2H3
InChIKeyGPDJWBIEGRRQMA-UHFFFAOYSA-N
MW213.27 g/mol
LogP3.54
Rot. Bonds

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

5,6-difluoro-1,3-dimethyl-2,3-dihydroindole;ethane (PubChem CID 143808256) has the molecular formula C12H17F2N and a molecular weight of 213.27 g/mol. Its IUPAC name is 5,6-difluoro-1,3-dimethyl-2,3-dihydroindole;ethane.

Molecular Properties

Compound Name5,6-difluoro-1,3-dimethyl-2,3-dihydroindole;ethane
PubChem CID143808256
Molecular FormulaC12H17F2N
Molecular Weight213.27 g/mol
Exact Mass213.13
IUPAC Name5,6-difluoro-1,3-dimethyl-2,3-dihydroindole;ethane
SMILESCC.CC1CN(C)c2cc(F)c(F)cc21
InChIInChI=1S/C10H11F2N.C2H6/c1-6-5-13(2)10-4-9(12)8(11)3-7(6)10;1-2/h3-4,6H,5H2,1-2H3;1-2H3
InChIKeyGPDJWBIEGRRQMA-UHFFFAOYSA-N
XLogP3.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.27
LogP ≤ 53.54
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;ethane?
The IUPAC name of 5,6-difluoro-1,3-dimethyl-2,3-dihydroindole;ethane (CID 143808256) is 5,6-difluoro-1,3-dimethyl-2,3-dihydroindole;ethane.
What is the SMILES notation for 5,6-difluoro-1,3-dimethyl-2,3-dihydroindole;ethane?
The canonical SMILES for 5,6-difluoro-1,3-dimethyl-2,3-dihydroindole;ethane is CC.CC1CN(C)c2cc(F)c(F)cc21.
What is the InChIKey of 5,6-difluoro-1,3-dimethyl-2,3-dihydroindole;ethane?
The InChIKey is GPDJWBIEGRRQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N.C2H6/c1-6-5-13(2)10-4-9(12)8(11)3-7(6)10;1-2/h3-4,6H,5H2,1-2H3;1-2H3.
What are the key properties of 5,6-difluoro-1,3-dimethyl-2,3-dihydroindole;ethane?
5,6-difluoro-1,3-dimethyl-2,3-dihydroindole;ethane has a molecular weight of 213.27 g/mol, XLogP of 3.54, 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;ethane is sourced from PubChem (CID 143808256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).