3-(3,3-difluoroprop-2-enyl)-1,2-dihydroindol-3-ol

C11H11F2NO — CID 175334422

IUPAC3-(3,3-difluoroprop-2-enyl)-1,2-dihydroindol-3-ol
SMILESOC1(CC=C(F)F)CNc2ccccc21
InChIInChI=1S/C11H11F2NO/c12-10(13)5-6-11(15)7-14-9-4-2-1-3-8(9)11/h1-5,14-15H,6-7H2
InChIKeyYDZOKDLRTDIWLJ-UHFFFAOYSA-N
MW211.21 g/mol
LogP2.47
Rot. Bonds2

About 3-(3,3-difluoroprop-2-enyl)-1,2-dihydroindol-3-ol

3-(3,3-difluoroprop-2-enyl)-1,2-dihydroindol-3-ol (PubChem CID 175334422) has the molecular formula C11H11F2NO and a molecular weight of 211.21 g/mol. Its IUPAC name is 3-(3,3-difluoroprop-2-enyl)-1,2-dihydroindol-3-ol.

Molecular Properties

Compound Name3-(3,3-difluoroprop-2-enyl)-1,2-dihydroindol-3-ol
PubChem CID175334422
Molecular FormulaC11H11F2NO
Molecular Weight211.21 g/mol
Exact Mass211.08
IUPAC Name3-(3,3-difluoroprop-2-enyl)-1,2-dihydroindol-3-ol
SMILESOC1(CC=C(F)F)CNc2ccccc21
InChIInChI=1S/C11H11F2NO/c12-10(13)5-6-11(15)7-14-9-4-2-1-3-8(9)11/h1-5,14-15H,6-7H2
InChIKeyYDZOKDLRTDIWLJ-UHFFFAOYSA-N
XLogP2.47
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.21
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3-difluoroprop-2-enyl)-1,2-dihydroindol-3-ol?
The IUPAC name of 3-(3,3-difluoroprop-2-enyl)-1,2-dihydroindol-3-ol (CID 175334422) is 3-(3,3-difluoroprop-2-enyl)-1,2-dihydroindol-3-ol.
What is the SMILES notation for 3-(3,3-difluoroprop-2-enyl)-1,2-dihydroindol-3-ol?
The canonical SMILES for 3-(3,3-difluoroprop-2-enyl)-1,2-dihydroindol-3-ol is OC1(CC=C(F)F)CNc2ccccc21.
What is the InChIKey of 3-(3,3-difluoroprop-2-enyl)-1,2-dihydroindol-3-ol?
The InChIKey is YDZOKDLRTDIWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO/c12-10(13)5-6-11(15)7-14-9-4-2-1-3-8(9)11/h1-5,14-15H,6-7H2.
What are the key properties of 3-(3,3-difluoroprop-2-enyl)-1,2-dihydroindol-3-ol?
3-(3,3-difluoroprop-2-enyl)-1,2-dihydroindol-3-ol has a molecular weight of 211.21 g/mol, XLogP of 2.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-difluoroprop-2-enyl)-1,2-dihydroindol-3-ol is sourced from PubChem (CID 175334422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).