3-amino-6-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1,3-dihydroindol-2-one

C12H15F2N3O2 — CID 107480513

IUPAC3-amino-6-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1,3-dihydroindol-2-one
SMILESNC1C(=O)Nc2cc(N(CCO)CC(F)F)ccc21
InChIInChI=1S/C12H15F2N3O2/c13-10(14)6-17(3-4-18)7-1-2-8-9(5-7)16-12(19)11(8)15/h1-2,5,10-11,18H,3-4,6,15H2,(H,16,19)
InChIKeyDYCYYVLPQSOBIX-UHFFFAOYSA-N
MW271.27 g/mol
LogP0.70
Rot. Bonds5

About 3-amino-6-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1,3-dihydroindol-2-one

3-amino-6-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1,3-dihydroindol-2-one (PubChem CID 107480513) has the molecular formula C12H15F2N3O2 and a molecular weight of 271.27 g/mol. Its IUPAC name is 3-amino-6-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-amino-6-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1,3-dihydroindol-2-one
PubChem CID107480513
Molecular FormulaC12H15F2N3O2
Molecular Weight271.27 g/mol
Exact Mass271.11
IUPAC Name3-amino-6-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1,3-dihydroindol-2-one
SMILESNC1C(=O)Nc2cc(N(CCO)CC(F)F)ccc21
InChIInChI=1S/C12H15F2N3O2/c13-10(14)6-17(3-4-18)7-1-2-8-9(5-7)16-12(19)11(8)15/h1-2,5,10-11,18H,3-4,6,15H2,(H,16,19)
InChIKeyDYCYYVLPQSOBIX-UHFFFAOYSA-N
XLogP0.70
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1,3-dihydroindol-2-one?
The IUPAC name of 3-amino-6-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1,3-dihydroindol-2-one (CID 107480513) is 3-amino-6-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-amino-6-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1,3-dihydroindol-2-one?
The canonical SMILES for 3-amino-6-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1,3-dihydroindol-2-one is NC1C(=O)Nc2cc(N(CCO)CC(F)F)ccc21.
What is the InChIKey of 3-amino-6-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1,3-dihydroindol-2-one?
The InChIKey is DYCYYVLPQSOBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N3O2/c13-10(14)6-17(3-4-18)7-1-2-8-9(5-7)16-12(19)11(8)15/h1-2,5,10-11,18H,3-4,6,15H2,(H,16,19).
What are the key properties of 3-amino-6-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1,3-dihydroindol-2-one?
3-amino-6-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1,3-dihydroindol-2-one has a molecular weight of 271.27 g/mol, XLogP of 0.70, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 107480513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).