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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Related Compounds

Alline
CID 73124019
3-Hydroxy-3-(trifluoromethyl)indolin-2-one
CID 2801696
cis-Indole-2,3-dihydrodiol
CID 25200922
1,1,1,3,3,3-Hexafluoro-2-{4-[(2,2,2-trifluoroethyl)amino]phenyl}propan-2-ol
CID 447911
3-hydroxy-3-[2-(methylamino)ethyl]-1H-indol-2-one
CID 10987427
(3S)-3-hydroxy-3-[2-(methylamino)ethyl]-1H-indol-2-one
CID 5325568
(2,3-dihydro-1H-indol-6-yl)methanol
CID 20666213
(Indolin-3-yl)methanol
CID 22392033
2-(2,3-dihydro-1H-indol-4-yl)propan-2-ol
CID 84656119
(2S,3S)-1-methyl-2-phenyl-3-(trifluoromethyl)-2H-indol-3-ol
CID 10517806
(2S,3S)-1-ethyl-2-(2-phenylethyl)-3-(trifluoromethyl)-2H-indol-3-ol
CID 10854257
2-(2,3-Dihydro-1h-indol-7-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 13429008

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).