4,5-difluoro-3,3-dimethyl-1,2-dihydroindole

C10H11F2N — CID 58386473

IUPAC4,5-difluoro-3,3-dimethyl-1,2-dihydroindole
SMILESCC1(C)CNc2ccc(F)c(F)c21
InChIInChI=1S/C10H11F2N/c1-10(2)5-13-7-4-3-6(11)9(12)8(7)10/h3-4,13H,5H2,1-2H3
InChIKeyDPVOEJOGLGGGFA-UHFFFAOYSA-N
MW183.20 g/mol
LogP2.67
Rot. Bonds

About 4,5-difluoro-3,3-dimethyl-1,2-dihydroindole

4,5-difluoro-3,3-dimethyl-1,2-dihydroindole (PubChem CID 58386473) has the molecular formula C10H11F2N and a molecular weight of 183.20 g/mol. Its IUPAC name is 4,5-difluoro-3,3-dimethyl-1,2-dihydroindole.

Molecular Properties

Compound Name4,5-difluoro-3,3-dimethyl-1,2-dihydroindole
PubChem CID58386473
Molecular FormulaC10H11F2N
Molecular Weight183.20 g/mol
Exact Mass183.09
IUPAC Name4,5-difluoro-3,3-dimethyl-1,2-dihydroindole
SMILESCC1(C)CNc2ccc(F)c(F)c21
InChIInChI=1S/C10H11F2N/c1-10(2)5-13-7-4-3-6(11)9(12)8(7)10/h3-4,13H,5H2,1-2H3
InChIKeyDPVOEJOGLGGGFA-UHFFFAOYSA-N
XLogP2.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.20
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,5-difluoro-3,3-dimethyl-1,2-dihydroindole?
The IUPAC name of 4,5-difluoro-3,3-dimethyl-1,2-dihydroindole (CID 58386473) is 4,5-difluoro-3,3-dimethyl-1,2-dihydroindole.
What is the SMILES notation for 4,5-difluoro-3,3-dimethyl-1,2-dihydroindole?
The canonical SMILES for 4,5-difluoro-3,3-dimethyl-1,2-dihydroindole is CC1(C)CNc2ccc(F)c(F)c21.
What is the InChIKey of 4,5-difluoro-3,3-dimethyl-1,2-dihydroindole?
The InChIKey is DPVOEJOGLGGGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N/c1-10(2)5-13-7-4-3-6(11)9(12)8(7)10/h3-4,13H,5H2,1-2H3.
What are the key properties of 4,5-difluoro-3,3-dimethyl-1,2-dihydroindole?
4,5-difluoro-3,3-dimethyl-1,2-dihydroindole has a molecular weight of 183.20 g/mol, XLogP of 2.67, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluoro-3,3-dimethyl-1,2-dihydroindole is sourced from PubChem (CID 58386473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).